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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 3-(2-nitroanilino)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 3-(2-nitroanilino)-1-(4-tosylpiperazino)propan-1-one Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-16-6-8-17(9-7-16)30(28,29)23-14-12-22(13-15-23)20(25)10-11-21-18-4-2-3-5-19(18)24(26)27/h2-9,21H,10-15H2,1H3