(4-methylphenyl)-[pentyl-[4-(quinolin-2-ylmethoxy)phenyl]carbamoyl]sulfamic acid

Systemtic Name: (4-methylphenyl)-[pentyl-[4-(quinolin-2-ylmethoxy)phenyl]carbamoyl]sulfamic acid Openeye Name: [pentyl-[4-(2-quinolylmethoxy)phenyl]carbamoyl]-(p-tolyl)sulfamic acid CAS Name: (4-methylphenyl)-[oxo-[N-pentyl-4-(2-quinolinylmethoxy)anilino]methyl]sulfamic acid IUPAC Name: (4-methylphenyl)-[pentyl-[4-(quinolin-2-ylmethoxy)phenyl]carbamoyl]sulfamic acid Traditional Name: [amyl-[4-(2-quinolylmethoxy)phenyl]carbamoyl]-(p-tolyl)sulfamic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O5S/c1-3-4-7-20-31(29(33)32(38(34,35)36)26-14-10-22(2)11-15-26)25-16-18-27(19-17-25)37-21-24-13-12-23-8-5-6-9-28(23)30-24/h5-6,8-19H,3-4,7,20-21H2,1-2H3,(H,34,35,36)