4-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]benzoic acid

Systemtic Name: 4-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]benzoic acid Openeye Name: 4-[methyl-[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 4-[methyl-(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]benzoic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C23H22N2O5S2/c1-24(18-9-6-16(7-10-18)23(27)28)22(26)21-13-19(31)14-25(21)32(29,30)20-11-8-15-4-2-3-5-17(15)12-20/h2-12,19,21,31H,13-14H2,1H3,(H,27,28)