N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

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