1-cyclopentyl-3-(2-methylphenyl)sulfonyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea

Systemtic Name: 1-cyclopentyl-3-(2-methylphenyl)sulfonyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Openeye Name: 1-cyclopentyl-3-(o-tolylsulfonyl)-1-[4-(2-quinolylmethoxy)phenyl]urea CAS Name: 1-cyclopentyl-3-(2-methylphenyl)sulfonyl-1-[4-(2-quinolinylmethoxy)phenyl]urea IUPAC Name: 1-cyclopentyl-3-(2-methylphenyl)sulfonyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Traditional Name: 1-cyclopentyl-3-(o-tolylsulfonyl)-1-[4-(2-quinolylmethoxy)phenyl]urea Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(C2CCCC2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(C2CCCC2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H29N3O4S/c1-21-8-2-7-13-28(21)37(34,35)31-29(33)32(24-10-4-5-11-24)25-16-18-26(19-17-25)36-20-23-15-14-22-9-3-6-12-27(22)30-23/h2-3,6-9,12-19,24H,4-5,10-11,20H2,1H3,(H,31,33)