[4-(methylsulfanylmethyl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(methylsulfanylmethyl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(methylsulfanylmethyl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-[(methylthio)methyl]phenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(methylsulfanylmethyl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-[(methylthio)methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2/c1-28-14-15-5-7-16(8-6-15)19(23)20-9-11-21(12-10-20)29(26,27)18-4-2-3-17(13-18)22(24)25/h2-8,13H,9-12,14H2,1H3