3-[(2-methylquinolin-4-yl)amino]-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 3-[(2-methylquinolin-4-yl)amino]-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methyl-4-quinolyl)amino]benzenesulfonamide CAS Name: 3-[(2-methyl-4-quinolinyl)amino]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-3-[(2-methyl-4-quinolyl)amino]benzenesulfonamide Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)S(=O)(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=CC(=CC=C3)S(=O)(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O2S/c1-23-20-29(27-12-5-6-13-28(27)31-23)32-25-10-7-11-26(21-25)37(35,36)30-14-15-33-16-18-34(19-17-33)22-24-8-3-2-4-9-24/h2-13,20-21,30H,14-19,22H2,1H3,(H,31,32)