1-(4-nitro-3-piperidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-(4-nitro-3-piperidin-1-yl-phenyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[4-nitro-3-(1-piperidyl)phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine Traditional Name: 1-besyl-4-(4-nitro-3-piperidino-phenyl)piperazine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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