4-[(1-butylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1-butylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-butylsulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(1-butylsulfonyl-4-mercapto-2-pyrrolidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-butylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-butylsulfonyl-4-mercapto-prolyl)amino]benzoic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)C(=O)O)S

Isomeric SMILES

CCCCS(=O)(=O)N1CC(CC1C(=O)NC2=CC=C(C=C2)C(=O)O)S

InChI

InChI=1S/C16H22N2O5S2/c1-2-3-8-25(22,23)18-10-13(24)9-14(18)15(19)17-12-6-4-11(5-7-12)16(20)21/h4-7,13-14,24H,2-3,8-10H2,1H3,(H,17,19)(H,20,21)