N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S2/c1-12-8-9-13(2)17-16(12)20-18(24-17)19-15(21)10-11-25(22,23)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H,19,20,21)