N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]-2-methyl-N-(phenylmethyl)propanamide

Systemtic Name: N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]-2-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-[[3-(butylamino)-4-phenoxy-5-sulfamoyl-phenyl]methyl]-2-methyl-propanamide CAS Name: N-[[3-(butylamino)-4-phenoxy-5-sulfamoylphenyl]methyl]-2-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-[[3-(butylamino)-4-phenoxy-5-sulfamoylphenyl]methyl]-2-methylpropanamide Traditional Name: N-benzyl-N-[3-(butylamino)-4-phenoxy-5-sulfamoyl-benzyl]-2-methyl-propionamide Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)CN(CC2=CC=CC=C2)C(=O)C(C)C)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)CN(CC2=CC=CC=C2)C(=O)C(C)C)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4S/c1-4-5-16-30-25-17-23(20-31(28(32)21(2)3)19-22-12-8-6-9-13-22)18-26(36(29,33)34)27(25)35-24-14-10-7-11-15-24/h6-15,17-18,21,30H,4-5,16,19-20H2,1-3H3,(H2,29,33,34)