N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c1-12-14(19)8-9-15-17(12)21(2)18(25-15)20-16(22)11-26(23,24)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3