4-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[(1-indan-5-ylsulfonylisonipecotoyl)amino]-3-methyl-benzoic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H26N2O5S/c1-15-13-19(23(27)28)6-8-21(15)24-22(26)17-9-11-25(12-10-17)31(29,30)20-7-5-16-3-2-4-18(16)14-20/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,24,26)(H,27,28)