1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-(phenylmethyl)piperazine

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-benzyl-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c27-26(28)22-17-20(31(29,30)25-11-5-2-6-12-25)9-10-21(22)24-15-13-23(14-16-24)18-19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16,18H2