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

Systemtic Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-(3-thienyl)prop-2-en-1-one Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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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=CC3=CSC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C18H19N3O5S2/c1-14-2-4-16(21(23)24)12-17(14)28(25,26)20-9-7-19(8-10-20)18(22)5-3-15-6-11-27-13-15/h2-6,11-13H,7-10H2,1H3/b5-3+