N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-3-piperidinosulfonyl-N-piperonyl-benzamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-16-6-5-15(11-19(16)29(25,26)23-8-2-1-3-9-23)20(24)22-12-14-4-7-17-18(10-14)28-13-27-17/h4-7,10-11H,1-3,8-9,12-13H2,(H,22,24)