N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-mesyl-N-o-phenetyl-nipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N(C2=NC3=CC=CC=C3S2)C(=O)C4CCCN(C4)S(=O)(=O)C

InChI

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