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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S2/c1-3-15-6-4-8-19-20(15)23-22(30-19)24-21(26)16-7-5-13-25(14-16)31(27,28)18-11-9-17(29-2)10-12-18/h4,6,8-12,16H,3,5,7,13-14H2,1-2H3,(H,23,24,26)