1-(2-methylquinolin-4-yl)-3-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]urea Openeye Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]urea IUPAC Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-(4-benzylsulfonylpiperazino)ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-19-17-23(21-9-5-6-10-22(21)26-19)27-24(30)25-11-12-28-13-15-29(16-14-28)33(31,32)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H2,25,26,27,30)