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

Systemtic Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-butyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-butyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-butylamino]-1-pyrrolidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-butylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[3-[brosyl(butyl)amino]pyrrolidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C27H34BrN5O3S MolecularWeight: 588.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCN(C1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCN(C1CCN(C1)CCNC(=O)NC2=CC(=NC3=CC=CC=C32)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H34BrN5O3S/c1-3-4-15-33(37(35,36)23-11-9-21(28)10-12-23)22-13-16-32(19-22)17-14-29-27(34)31-26-18-20(2)30-25-8-6-5-7-24(25)26/h5-12,18,22H,3-4,13-17,19H2,1-2H3,(H2,29,30,31,34)