N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[1-[4-(3-methyl-1-piperidyl)phenyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[1-[4-(3-methyl-1-piperidinyl)phenyl]ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-[1-[4-(3-methylpiperidino)phenyl]ethyl]benzamide Formula: C27H38N4O3S MolecularWeight: 498.68062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C27H38N4O3S/c1-21-6-5-13-30(19-21)26-11-9-24(10-12-26)22(2)28-27(32)25-8-4-7-23(18-25)20-29-14-16-31(17-15-29)35(3,33)34/h4,7-12,18,21-22H,5-6,13-17,19-20H2,1-3H3,(H,28,32)