3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-2-17-7-9-18(10-8-17)11-12-21(25)22-13-15-23(16-14-22)30(28,29)20-6-4-3-5-19(20)24(26)27/h3-10H,2,11-16H2,1H3