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

Systemtic Name: 1-[2-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[3-[(2-cyanophenyl)sulfonyl-methylamino]-1-pyrrolidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[3-[(2-cyanophenyl)sulfonyl-methylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]pyrrolidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N6O3S/c1-18-15-23(21-8-4-5-9-22(21)28-18)29-25(32)27-12-14-31-13-11-20(17-31)30(2)35(33,34)24-10-6-3-7-19(24)16-26/h3-10,15,20H,11-14,17H2,1-2H3,(H2,27,28,29,32)