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

Systemtic Name: 4-[(4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl)carbonyl-methyl-amino]benzoic acid Openeye Name: 4-[[4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]benzoic acid CAS Name: 4-[[[4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]benzoic acid IUPAC Name: 4-[(4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl)-methylamino]benzoic acid Traditional Name: 4-[[4-(acetylthio)-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]benzoic acid Formula: C25H24N2O6S2 MolecularWeight: 512.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N(C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H24N2O6S2/c1-16(28)34-21-14-23(24(29)26(2)20-10-7-18(8-11-20)25(30)31)27(15-21)35(32,33)22-12-9-17-5-3-4-6-19(17)13-22/h3-13,21,23H,14-15H2,1-2H3,(H,30,31)