4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-17-7-9-19(10-8-17)30-15-3-6-21(25)22-11-13-23(14-12-22)31(28,29)20-5-2-4-18(16-20)24(26)27/h2,4-5,7-10,16H,3,6,11-15H2,1H3