[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-tosylpiperazino)methanone Formula: C25H33N3O5S2 MolecularWeight: 519.67662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S2/c1-20-7-11-23(12-8-20)34(30,31)28-17-15-26(16-18-28)25(29)22-10-9-21(2)24(19-22)35(32,33)27-13-5-3-4-6-14-27/h7-12,19H,3-6,13-18H2,1-2H3