N-(3-methylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonamide

Systemtic Name: N-(3-methylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propane-1-sulfonamide Openeye Name: N-(m-tolyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonamide CAS Name: N-(3-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-1-propanesulfonamide IUPAC Name: N-(3-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonamide Traditional Name: N-(m-tolyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propane-1-sulfonamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H18N2O5S2/c1-13-6-4-7-14(12-13)18-25(21,22)11-5-10-19-17(20)15-8-2-3-9-16(15)26(19,23)24/h2-4,6-9,12,18H,5,10-11H2,1H3