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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=O)NCCCC(C)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=O)NCCCC(C)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)S(=O)(=O)O

InChI

InChI=1S/C29H31N3O5S/c1-21-9-15-26(16-10-21)32(38(34,35)36)29(33)30-19-5-6-22(2)23-12-17-27(18-13-23)37-20-25-14-11-24-7-3-4-8-28(24)31-25/h3-4,7-18,22H,5-6,19-20H2,1-2H3,(H,30,33)(H,34,35,36)