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

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-2-phenyl-acetamide CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-2-phenylacetamide IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-2-phenylacetamide Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-2-phenyl-acetamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5S/c24-23(29)22(18-7-3-1-4-8-18)26-15-13-25(14-16-26)20-10-9-19(17-21(20)28(30)31)34(32,33)27-11-5-2-6-12-27/h1,3-4,7-10,17,22H,2,5-6,11-16H2,(H2,24,29)