1-[2-[4-[(4-bromophenyl)sulfonyl-butyl-amino]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea

Systemtic Name: 1-[2-[4-[(4-bromophenyl)sulfonyl-butyl-amino]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[4-[(4-bromophenyl)sulfonyl-butyl-amino]-1-piperidyl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[4-[(4-bromophenyl)sulfonyl-butylamino]-1-piperidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[4-[(4-bromophenyl)sulfonyl-butylamino]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[4-[brosyl(butyl)amino]piperidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C28H36BrN5O3S MolecularWeight: 602.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCN(CC1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCN(C1CCN(CC1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H36BrN5O3S/c1-3-4-16-34(38(36,37)24-11-9-22(29)10-12-24)23-13-17-33(18-14-23)19-15-30-28(35)32-27-20-21(2)31-26-8-6-5-7-25(26)27/h5-12,20,23H,3-4,13-19H2,1-2H3,(H2,30,31,32,35)