1-[3-nitro-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[3-nitro-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)phenyl]ethanone Traditional Name: 1-[3-nitro-4-(4-pyrrolidinosulfonylpiperazino)phenyl]ethanone Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

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