[2-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(2,3-dimethyl-5-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-(2,3-dimethyl-5-sulfamoyl-anilino)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-(2,3-dimethyl-5-sulfamoyl-anilino)-2-keto-ethyl]-isopropyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)S(=O)(=O)N

InChI

InChI=1S/C20H27N3O3S/c1-14(2)23(12-17-8-6-5-7-9-17)13-20(24)22-19-11-18(27(21,25)26)10-15(3)16(19)4/h5-11,14H,12-13H2,1-4H3,(H,22,24)(H2,21,25,26)/p+1