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

Systemtic Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-phenethyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-phenethyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-phenethylamino]-1-pyrrolidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[3-[(4-bromophenyl)sulfonyl-phenethylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[3-[brosyl(phenethyl)amino]pyrrolidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C31H34BrN5O3S MolecularWeight: 636.60236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(CCC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(CCC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H34BrN5O3S/c1-23-21-30(28-9-5-6-10-29(28)34-23)35-31(38)33-17-20-36-18-16-26(22-36)37(19-15-24-7-3-2-4-8-24)41(39,40)27-13-11-25(32)12-14-27/h2-14,21,26H,15-20,22H2,1H3,(H2,33,34,35,38)