4-[2-[(4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl)carbonylamino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl)carbonylamino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-(2-naphthylsulfonyl)prolyl]amino]acetyl]amino]benzoic acid Formula: C26H25N3O7S2 MolecularWeight: 555.6226

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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)NCC(=O)NC4=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)NCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H25N3O7S2/c1-16(30)37-21-13-23(25(32)27-14-24(31)28-20-9-6-18(7-10-20)26(33)34)29(15-21)38(35,36)22-11-8-17-4-2-3-5-19(17)12-22/h2-12,21,23H,13-15H2,1H3,(H,27,32)(H,28,31)(H,33,34)