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

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-phenyl-piperazine Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-phenyl-piperazine CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-phenylpiperazine IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-4-phenylpiperazine Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)-4-phenyl-piperazine Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c26-25(27)21-17-19(30(28,29)24-11-5-2-6-12-24)9-10-20(21)23-15-13-22(14-16-23)18-7-3-1-4-8-18/h1,3-4,7-10,17H,2,5-6,11-16H2