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

Systemtic Name: 1-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)NC3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)NC3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C27H35N5O4S/c1-3-4-19-36-22-9-11-23(12-10-22)37(34,35)32-17-15-31(16-18-32)14-13-28-27(33)30-26-20-21(2)29-25-8-6-5-7-24(25)26/h5-12,20H,3-4,13-19H2,1-2H3,(H2,28,29,30,33)