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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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