N-[2-(3-chlorophenyl)-2-(phenylmethyl)piperazin-1-yl]hexane-1-sulfonamide; ethanedioic acid

Systemtic Name: N-[2-(3-chlorophenyl)-2-(phenylmethyl)piperazin-1-yl]hexane-1-sulfonamide; ethanedioic acid Openeye Name: N-[2-benzyl-2-(3-chlorophenyl)piperazin-1-yl]hexane-1-sulfonamide; oxalic acid CAS Name: N-[2-(3-chlorophenyl)-2-(phenylmethyl)-1-piperazinyl]-1-hexanesulfonamide; oxalic acid IUPAC Name: N-[2-benzyl-2-(3-chlorophenyl)piperazin-1-yl]hexane-1-sulfonamide; oxalic acid Traditional Name: N-[2-benzyl-2-(3-chlorophenyl)piperazino]hexane-1-sulfonamide; oxalic acid Formula: C25H34ClN3O6S MolecularWeight: 540.07196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NN1CCNCC1(CC2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCS(=O)(=O)NN1CCNCC1(CC2=CC=CC=C2)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32ClN3O2S.C2H2O4/c1-2-3-4-8-16-30(28,29)26-27-15-14-25-19-23(27,18-20-10-6-5-7-11-20)21-12-9-13-22(24)17-21;3-1(4)2(5)6/h5-7,9-13,17,25-26H,2-4,8,14-16,18-19H2,1H3;(H,3,4)(H,5,6)