2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid Openeye Name: 2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(2-thienylsulfonylamino)pyridine-3-carboxylic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-(thiophen-2-ylsulfonylamino)-3-pyridinecarboxylic acid IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-(2-thienylsulfonylamino)nicotinic acid Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=C(C=C3C(=O)O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=C(C=C3C(=O)O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N4O4S2/c1-15-5-3-6-18(11-15)26-9-8-25(14-16(26)2)21-19(22(27)28)12-17(13-23-21)24-32(29,30)20-7-4-10-31-20/h3-7,10-13,16,24H,8-9,14H2,1-2H3,(H,27,28)