2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-1-pyrrolidino-ethanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O5S/c27-21(24-8-4-5-9-24)17-22-12-14-23(15-13-22)19-7-6-18(16-20(19)26(28)29)32(30,31)25-10-2-1-3-11-25/h6-7,16H,1-5,8-15,17H2