3-methyl-4-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-(1-piperidylsulfonyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-methyl-4-[[4-(1-piperidinylsulfonyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-methyl-4-[(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 3-methyl-4-[(4-piperidinosulfonylphenyl)sulfonylamino]benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O6S2/c1-14-13-15(19(22)23)5-10-18(14)20-28(24,25)16-6-8-17(9-7-16)29(26,27)21-11-3-2-4-12-21/h5-10,13,20H,2-4,11-12H2,1H3,(H,22,23)