N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-homopiperonyl-isonipecotamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-17-2-4-18(5-3-17)30(26,27)24-11-8-16(9-12-24)21(25)23-10-7-15-1-6-19-20(13-15)29-14-28-19/h1-6,13,16H,7-12,14H2,(H,23,25)