1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-(2-phenylsulfanylethyl)piperazine

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-(2-phenylsulfanylethyl)piperazine Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-(2-phenylsulfanylethyl)piperazine CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-[2-(phenylthio)ethyl]piperazine IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-4-(2-phenylsulfanylethyl)piperazine Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-[2-(phenylthio)ethyl]piperazine Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S2/c28-27(29)23-19-21(33(30,31)26-11-5-2-6-12-26)9-10-22(23)25-15-13-24(14-16-25)17-18-32-20-7-3-1-4-8-20/h1,3-4,7-10,19H,2,5-6,11-18H2