1-[(6-chloranylpyridin-3-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O4S/c1-13-2-4-15(22(23)24)10-16(13)27(25,26)21-8-6-20(7-9-21)12-14-3-5-17(18)19-11-14/h2-5,10-11H,6-9,12H2,1H3