3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(3-chlorobenzyl)piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O4S/c1-27-18-6-5-16(28(21,25)26)12-17(18)19(24)23-9-7-22(8-10-23)13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3,(H2,21,25,26)