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

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(methylamino)-3-nitro-phenyl]-[4-[(E)-styryl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(methylamino)-3-nitrophenyl]-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(methylamino)-3-nitro-phenyl]-[4-[(E)-styryl]sulfonylpiperazino]methanone Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-21-18-8-7-17(15-19(18)24(26)27)20(25)22-10-12-23(13-11-22)30(28,29)14-9-16-5-3-2-4-6-16/h2-9,14-15,21H,10-13H2,1H3/b14-9+