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

Systemtic Name: 3-[(3-methoxyphenyl)amino]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-methoxyanilino)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-methoxyanilino)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methoxyanilino)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(m-anisidino)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-30-18-6-2-4-16(14-18)21-9-8-20(25)22-10-12-23(13-11-22)31(28,29)19-7-3-5-17(15-19)24(26)27/h2-7,14-15,21H,8-13H2,1H3