5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(4-methoxyphenyl)sulfonylamino]-6-[3-methyl-4-(m-tolyl)piperazino]nicotinic acid Formula: C25H28N4O5S MolecularWeight: 496.57862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=N3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=N3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N4O5S/c1-17-5-4-6-20(13-17)29-12-11-28(16-18(29)2)24-23(14-19(15-26-24)25(30)31)27-35(32,33)22-9-7-21(34-3)8-10-22/h4-10,13-15,18,27H,11-12,16H2,1-3H3,(H,30,31)