4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-methoxyphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-30-17-8-10-18(11-9-17)31-16-4-7-21(25)22-12-14-23(15-13-22)32(28,29)20-6-3-2-5-19(20)24(26)27/h2-3,5-6,8-11H,4,7,12-16H2,1H3