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

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide CAS Name: N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)butyramide Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S2/c1-25-22-19-11-6-5-10-18(19)13-14-20(22)29-23(25)24-21(26)12-7-15-30(27,28)16-17-8-3-2-4-9-17/h2-6,8-11,13-14H,7,12,15-16H2,1H3