N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl)OC

InChI

InChI=1S/C21H22ClN3O5S2/c1-29-17-6-4-15(12-18(17)30-2)32(27,28)25-9-7-13(8-10-25)20(26)24-21-23-16-5-3-14(22)11-19(16)31-21/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,26)