[4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

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