[4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(1,3-dithiolan-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S3/c24-19(15-4-6-16(7-5-15)20-29-12-13-30-20)21-8-10-22(11-9-21)31(27,28)18-3-1-2-17(14-18)23(25)26/h1-7,14,20H,8-13H2