6-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]pyridine-3-carboxylic acid CAS Name: 6-[[3-cyclopentyl-2-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-oxopropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[3-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanoyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-[[3-cyclopentyl-2-[4-(4-methylpiperazino)sulfonylphenyl]propanoyl]amino]nicotinic acid Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CC3CCCC3)C(=O)NC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H32N4O5S/c1-28-12-14-29(15-13-28)35(33,34)21-9-6-19(7-10-21)22(16-18-4-2-3-5-18)24(30)27-23-11-8-20(17-26-23)25(31)32/h6-11,17-18,22H,2-5,12-16H2,1H3,(H,31,32)(H,26,27,30)