N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-mesyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S2/c1-3-16-8-10-18(11-9-16)25(22-23-19-6-4-5-7-20(19)29-22)21(26)17-12-14-24(15-13-17)30(2,27)28/h4-11,17H,3,12-15H2,1-2H3