(3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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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-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-3-30-19-9-8-16(14-20(19)31-4-2)21(25)22-10-12-23(13-11-22)32(28,29)18-7-5-6-17(15-18)24(26)27/h5-9,14-15H,3-4,10-13H2,1-2H3