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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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