2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamate

Systemtic Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamate Openeye Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-phosphonooxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl ester IUPAC Name: 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-phosphonooxy-propyl]carbamic acid 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl ester Formula: C31H40N3O12PS MolecularWeight: 709.700961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)OP(=O)(O)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)OP(=O)(O)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H40N3O12PS/c1-31(2,12-6-13-32)19-34(48(39,40)22-9-10-25-26(16-22)44-20-43-25)17-27(46-47(36,37)38)24(15-21-7-4-3-5-8-21)33-30(35)45-28-18-42-29-23(28)11-14-41-29/h3-5,7-10,16,23-24,27-29H,6,11-12,14-15,17-20H2,1-2H3,(H,33,35)(H2,36,37,38)