[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]-(phenylmethyl)carbamic acid

Systemtic Name: [[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]-(phenylmethyl)carbamic acid Openeye Name: benzyl-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]carbamic acid CAS Name: [[[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-(phenylmethyl)carbamic acid IUPAC Name: benzyl-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]-methylamino]carbamic acid Traditional Name: benzyl-[methyl-[1-(2-naphthylsulfonyl)-4-(p-anisylthio)prolyl]amino]carbamic acid Formula: C32H33N3O6S2 MolecularWeight: 619.75092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC)N(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CN(C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC)N(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H33N3O6S2/c1-33(34(32(37)38)20-23-8-4-3-5-9-23)31(36)30-19-28(42-22-24-12-15-27(41-2)16-13-24)21-35(30)43(39,40)29-17-14-25-10-6-7-11-26(25)18-29/h3-18,28,30H,19-22H2,1-2H3,(H,37,38)