[4-(dimethylamino)-3-nitro-phenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-22(2)19-9-8-18(16-20(19)25(27)28)21(26)23-11-13-24(14-12-23)31(29,30)15-10-17-6-4-3-5-7-17/h3-10,15-16H,11-14H2,1-2H3/b15-10+