[4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S3/c1-32(28,29)17-6-7-18(19(14-17)24(26)27)22-8-10-23(11-9-22)20(25)15-2-4-16(5-3-15)21-30-12-13-31-21/h2-7,14,21H,8-13H2,1H3