[4-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid

Systemtic Name: [4-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid Openeye Name: [1-benzyl-3-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid CAS Name: [4-[2-cyanoethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid IUPAC Name: [4-[2-cyanoethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid Traditional Name: [1-benzyl-3-[2-cyanoethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-30-17-8-10-18(11-9-17)31(28,29)24(13-5-12-22)15-20(25)19(23-21(26)27)14-16-6-3-2-4-7-16/h2-4,6-11,19-20,23,25H,5,13-15H2,1H3,(H,26,27)