N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-homopiperonyl-3-piperidinosulfonyl-benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-17-6-5-16(13-20(17)30(26,27)24-10-2-1-3-11-24)21(25)23-9-8-15-4-7-18-19(12-15)29-14-28-18/h4-7,12-13H,1-3,8-11,14H2,(H,23,25)