3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(p-tolylsulfonyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17N3O5S3/c1-11-2-4-12(5-3-11)27(22,23)9-8-16(21)20-17-19-14-7-6-13(28(18,24)25)10-15(14)26-17/h2-7,10H,8-9H2,1H3,(H2,18,24,25)(H,19,20,21)