1-(4-ethoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C22H25N3O4S3/c1-3-29-17-5-7-18(8-6-17)32(27,28)25-12-10-15(11-13-25)21(26)23-16-4-9-19-20(14-16)31-22(24-19)30-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)