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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-pentyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Openeye Name: 1-pentyl-3-(p-tolylsulfonyl)-1-[4-(2-quinolylmethoxy)phenyl]urea CAS Name: 3-(4-methylphenyl)sulfonyl-1-pentyl-1-[4-(2-quinolinylmethoxy)phenyl]urea IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-pentyl-1-[4-(quinolin-2-ylmethoxy)phenyl]urea Traditional Name: 1-amyl-1-[4-(2-quinolylmethoxy)phenyl]-3-tosyl-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=C(C=C4)C

Isomeric SMILES

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

InChI

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