(3-ethoxy-4-methoxy-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-ethoxy-4-methoxy-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-ethoxy-4-methoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-ethoxy-4-methoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-ethoxy-4-methoxy-phenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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