1-(3-nitropyridin-2-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-nitro-2-pyridyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-mesitylsulfonyl-4-(3-nitro-2-pyridyl)piperazine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-13-11-14(2)17(15(3)12-13)27(25,26)21-9-7-20(8-10-21)18-16(22(23)24)5-4-6-19-18/h4-6,11-12H,7-10H2,1-3H3