3-[methyl(phenyl)amino]-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 3-[methyl(phenyl)amino]-2-[(phenylmethyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(benzylamino)-3-(N-methylanilino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 3-(N-methylanilino)-2-[(phenylmethyl)amino]-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(benzylamino)-3-(N-methylanilino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(benzylamino)-3-(N-methylanilino)-5-sulfamoyl-besylic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC(=CC(=C2NCC3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC(=CC(=C2NCC3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)N

InChI

InChI=1S/C20H21N3O5S2/c1-23(16-10-6-3-7-11-16)18-12-17(29(21,24)25)13-19(30(26,27)28)20(18)22-14-15-8-4-2-5-9-15/h2-13,22H,14H2,1H3,(H2,21,24,25)(H,26,27,28)