1-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]piperidin-2-one

Systemtic Name: 1-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]carbonylphenyl]piperidin-2-one Openeye Name: 1-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one CAS Name: 1-[4-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]-2-piperidinone IUPAC Name: 1-[4-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one Traditional Name: 1-[4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazine-1-carbonyl]phenyl]-2-piperidone Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCCC4=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7S/c1-34-21-10-9-19(16-20(21)27(30)31)35(32,33)25-14-12-24(13-15-25)23(29)17-5-7-18(8-6-17)26-11-3-2-4-22(26)28/h5-10,16H,2-4,11-15H2,1H3