N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O4S2/c1-2-30-18-7-9-19(10-8-18)32(28,29)26-15-12-17(13-16-26)23(27)24-14-11-22-25-20-5-3-4-6-21(20)31-22/h3-10,17H,2,11-16H2,1H3,(H,24,27)