3-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[(1-tetralin-6-ylsulfonylisonipecotoyl)amino]benzoic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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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(CCCC4)C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C24H28N2O5S/c1-16-14-20(24(28)29)7-9-22(16)25-23(27)18-10-12-26(13-11-18)32(30,31)21-8-6-17-4-2-3-5-19(17)15-21/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,25,27)(H,28,29)