4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-2-one

Systemtic Name: 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-2-one Openeye Name: 4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-2-one CAS Name: 4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-2-piperazinone IUPAC Name: 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-2-one Traditional Name: 4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-2-one Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S/c1-12-3-2-7-19(10-12)26(24,25)13-4-5-14(15(9-13)20(22)23)18-8-6-17-16(21)11-18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,17,21)/t12-/m0/s1