[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: (2-methyl-3-nitro-phenyl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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