(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H26ClN5O5S MolecularWeight: 495.97964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C21H26ClN5O5S/c1-3-4-11-26-21(22)17(16(2)23-26)9-10-20(28)24-12-14-25(15-13-24)33(31,32)19-8-6-5-7-18(19)27(29)30/h5-10H,3-4,11-15H2,1-2H3/b10-9+