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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-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=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

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

InChI

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