1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nosyl-piperazine Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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