3-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]but-2-en-1-one CAS Name: 3-methyl-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]but-2-en-1-one Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C=C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C=C(C)C

InChI

InChI=1S/C16H21N3O5S/c1-12(2)10-16(20)17-6-8-18(9-7-17)25(23,24)15-11-14(19(21)22)5-4-13(15)3/h4-5,10-11H,6-9H2,1-3H3