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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-[(3-chlorophenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(3-chlorobenzyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O4S/c23-19-6-4-5-18(15-19)17-24-11-13-25(14-12-24)21-8-7-20(16-22(21)27(28)29)32(30,31)26-9-2-1-3-10-26/h4-8,15-16H,1-3,9-14,17H2