1-(2-methylquinolin-4-yl)-3-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]urea Openeye Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-(4-besylpiperazino)ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C23H27N5O3S MolecularWeight: 453.55718

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-18-17-22(20-9-5-6-10-21(20)25-18)26-23(29)24-11-12-27-13-15-28(16-14-27)32(30,31)19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H2,24,25,26,29)