(4-ethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-ethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-ethoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-p-phenetyl-methanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-3-29-18-8-5-16(6-9-18)20(24)21-10-12-22(13-11-21)30(27,28)19-14-17(23(25)26)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3