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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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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=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H23N3O5S2/c1-28-17-8-7-15(13-18(17)29-2)31(26,27)24-11-9-14(10-12-24)20(25)23-21-22-16-5-3-4-6-19(16)30-21/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)