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

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(3-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(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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