N-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-N-piperonyl-benzamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-14-4-6-24(7-5-14)30(26,27)18-10-16(9-17(22)11-18)21(25)23-12-15-2-3-19-20(8-15)29-13-28-19/h2-3,8-11,14H,4-7,12-13H2,1H3,(H,23,25)