[4-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-[(methylthio)methyl]phenyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(methylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-[(methylthio)methyl]phenyl]-[4-(2-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/c1-28-14-15-6-8-16(9-7-15)19(23)20-10-12-21(13-11-20)29(26,27)18-5-3-2-4-17(18)22(24)25/h2-9H,10-14H2,1H3