N-[2-chloranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2-chloranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenyl]methanesulfonamide Openeye Name: N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-chloro-phenyl]methanesulfonamide CAS Name: N-[4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-chlorophenyl]methanesulfonamide IUPAC Name: N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-chlorophenyl]methanesulfonamide Traditional Name: N-[4-(4-besylpiperazine-1-carbonyl)-2-chloro-phenyl]methanesulfonamide Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S2/c1-28(24,25)20-17-8-7-14(13-16(17)19)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