N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-6-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H21N3O4S2/c1-27-16-5-7-17(8-6-16)29(25,26)23-10-2-3-14(12-23)20(24)22-15-4-9-18-19(11-15)28-13-21-18/h4-9,11,13-14H,2-3,10,12H2,1H3,(H,22,24)