N-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]-3-methylsulfonyl-benzamide CAS Name: N-[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]-3-methylsulfonylbenzamide IUPAC Name: N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-methylsulfonylbenzamide Traditional Name: N-[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]-3-mesyl-benzamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-3-29-21-13-16(7-8-20(21)23)15-25-11-9-18(10-12-25)24-22(26)17-5-4-6-19(14-17)30(2,27)28/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,24,26)