1-(3-chlorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(3-chlorophenyl)-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(3-chlorophenyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O4S/c22-17-5-4-6-18(15-17)23-11-13-24(14-12-23)20-8-7-19(16-21(20)26(27)28)31(29,30)25-9-2-1-3-10-25/h4-8,15-16H,1-3,9-14H2