N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butyramide Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O3S2/c1-24-21-18-11-6-5-8-16(18)13-14-19(21)28-22(24)23-20(25)12-7-15-29(26,27)17-9-3-2-4-10-17/h2-6,8-11,13-14H,7,12,15H2,1H3