(4-ethoxy-3-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O7S/c1-3-30-18-8-7-15(13-19(18)29-2)20(24)21-9-11-22(12-10-21)31(27,28)17-6-4-5-16(14-17)23(25)26/h4-8,13-14H,3,9-12H2,1-2H3