N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C31H38N4O6S2 MolecularWeight: 626.78662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C31H38N4O6S2/c1-24-9-12-28(13-10-24)42(37,38)35-19-17-33(18-20-35)23-25-7-6-8-26(21-25)31(36)32-27-11-14-29(41-2)30(22-27)43(39,40)34-15-4-3-5-16-34/h6-14,21-22H,3-5,15-20,23H2,1-2H3,(H,32,36)