N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-3-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-3-[(4-esylpiperazino)methyl]benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O4S/c1-2-36(34,35)31-15-13-30(14-16-31)19-20-7-6-10-22(17-20)27(33)29-25-12-11-23(28)18-24(25)26(32)21-8-4-3-5-9-21/h3-12,17-18H,2,13-16,19H2,1H3,(H,29,33)