1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine CAS Name: 1-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-chloro-3-nitropyrazol-1-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazine Formula: C15H18ClN5O5S MolecularWeight: 415.85192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=C(C(=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN5O5S/c1-26-12-2-4-13(5-3-12)27(24,25)20-8-6-18(7-9-20)11-19-10-14(16)15(17-19)21(22)23/h2-5,10H,6-9,11H2,1H3