N-[4-chloranyl-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenyl]methanesulfonamide

Systemtic Name: N-[4-chloranyl-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenyl]methanesulfonamide Openeye Name: N-[3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-4-chloro-phenyl]methanesulfonamide CAS Name: N-[3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-4-chlorophenyl]methanesulfonamide IUPAC Name: N-[3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-4-chlorophenyl]methanesulfonamide Traditional Name: N-[3-(4-besylpiperazine-1-carbonyl)-4-chloro-phenyl]methanesulfonamide Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O5S2/c1-28(24,25)20-14-7-8-17(19)16(13-14)18(23)21-9-11-22(12-10-21)29(26,27)15-5-3-2-4-6-15/h2-8,13,20H,9-12H2,1H3