ethanedioic acid; N-methyl-N-(phenylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

Systemtic Name: ethanedioic acid; N-methyl-N-(phenylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide Openeye Name: N-benzyl-N-methyl-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid CAS Name: N-methyl-N-(phenylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid IUPAC Name: N-benzyl-N-methyl-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid Traditional Name: N-benzyl-N-methyl-2-[(4-sulfamoylbenzyl)amino]propionamide; oxalic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)NCC2=CC=C(C=C2)S(=O)(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)NCC2=CC=C(C=C2)S(=O)(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3S.C2H2O4/c1-14(18(22)21(2)13-16-6-4-3-5-7-16)20-12-15-8-10-17(11-9-15)25(19,23)24;3-1(4)2(5)6/h3-11,14,20H,12-13H2,1-2H3,(H2,19,23,24);(H,3,4)(H,5,6)