4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C24H27N3O5S3 MolecularWeight: 533.68328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC=C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC=C

InChI

InChI=1S/C24H27N3O5S3/c1-3-14-27-21-13-12-20(34(2,29)30)17-22(21)33-24(27)25-23(28)18-8-10-19(11-9-18)35(31,32)26-15-6-4-5-7-16-26/h3,8-13,17H,1,4-7,14-16H2,2H3