[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(4-tosylpiperazino)methanone Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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