tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(3,7-dimethyloct-7-enyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C32H46N2O7S MolecularWeight: 602.78184

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=C)C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(CCCC(=C)C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C32H46N2O7S/c1-23(2)11-10-12-24(3)17-18-34(42(37,38)26-15-16-29-30(20-26)40-22-39-29)21-28(35)27(19-25-13-8-7-9-14-25)33-31(36)41-32(4,5)6/h7-9,13-16,20,24,27-28,35H,1,10-12,17-19,21-22H2,2-6H3,(H,33,36)