3-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperazino]sulfonylbenzoic acid Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H27N5O5S/c1-17-15-22(20-7-2-3-8-21(20)26-17)27-24(32)25-9-10-28-11-13-29(14-12-28)35(33,34)19-6-4-5-18(16-19)23(30)31/h2-8,15-16H,9-14H2,1H3,(H,30,31)(H2,25,26,27,32)