N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-4-(benzenesulfonyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-4-besyl-butyramide Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H22N2O5S3/c1-3-13-23-18-12-11-17(30(2,25)26)15-19(18)29-21(23)22-20(24)10-7-14-31(27,28)16-8-5-4-6-9-16/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3