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

Systemtic Name: 3-(2-methylphenyl)sulfonyl-1-pentyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Openeye Name: 3-(o-tolylsulfonyl)-1-pentyl-1-[4-(2-quinolylmethoxy)phenyl]urea CAS Name: 3-(2-methylphenyl)sulfonyl-1-pentyl-1-[4-(2-quinolinylmethoxy)phenyl]urea IUPAC Name: 3-(2-methylphenyl)sulfonyl-1-pentyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Traditional Name: 1-amyl-3-(o-tolylsulfonyl)-1-[4-(2-quinolylmethoxy)phenyl]urea Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCCN(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4C

InChI

InChI=1S/C29H31N3O4S/c1-3-4-9-20-32(29(33)31-37(34,35)28-13-8-5-10-22(28)2)25-16-18-26(19-17-25)36-21-24-15-14-23-11-6-7-12-27(23)30-24/h5-8,10-19H,3-4,9,20-21H2,1-2H3,(H,31,33)