1,3-dioxan-5-yl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: 1,3-dioxan-5-yl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: 1,3-dioxan-5-yl N-[1-benzyl-3-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid 1,3-dioxan-5-yl ester IUPAC Name: 1,3-dioxan-5-yl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid 1,3-dioxan-5-yl ester Formula: C25H31N3O8S MolecularWeight: 533.59394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC(C(CC2=CC=CC=C2)NC(=O)OC3COCOC3)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CCC#N)CC(C(CC2=CC=CC=C2)NC(=O)OC3COCOC3)O

InChI

InChI=1S/C25H31N3O8S/c1-33-20-8-10-22(11-9-20)37(31,32)28(13-5-12-26)15-24(29)23(14-19-6-3-2-4-7-19)27-25(30)36-21-16-34-18-35-17-21/h2-4,6-11,21,23-24,29H,5,13-18H2,1H3,(H,27,30)