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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-tosylpiperazino)methanone Formula: C24H30ClN3O5S2 MolecularWeight: 540.0951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O5S2/c1-19-6-9-21(10-7-19)34(30,31)28-16-14-26(15-17-28)24(29)20-8-11-22(25)23(18-20)35(32,33)27-12-4-2-3-5-13-27/h6-11,18H,2-5,12-17H2,1H3