1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S/c1-3-20-13-15(14(2)18-20)12-19-8-10-21(11-9-19)27(25,26)17-7-5-4-6-16(17)22(23)24/h4-7,13H,3,8-12H2,1-2H3