1-(3-chloranylpyridin-2-yl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(3-chloranylpyridin-2-yl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(3-chloro-2-pyridyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(3-chloro-2-pyridinyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(3-chloropyridin-2-yl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-2-pyridyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O4S/c1-12-4-5-13(21(22)23)11-15(12)26(24,25)20-9-7-19(8-10-20)16-14(17)3-2-6-18-16/h2-6,11H,7-10H2,1H3