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

Systemtic Name: [[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonylamino]-methyl-carbamic acid Openeye Name: [[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]-methyl-carbamic acid CAS Name: [[[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-methylcarbamic acid IUPAC Name: [[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]-methylcarbamic acid Traditional Name: methyl-[[1-(2-naphthylsulfonyl)-4-(p-anisylthio)prolyl]amino]carbamic acid Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O6S2/c1-27(25(30)31)26-24(29)23-14-21(35-16-17-7-10-20(34-2)11-8-17)15-28(23)36(32,33)22-12-9-18-5-3-4-6-19(18)13-22/h3-13,21,23H,14-16H2,1-2H3,(H,26,29)(H,30,31)