4-chloranyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide; ethanedioic acid

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]benzenesulfonamide; ethanedioic acid Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-chloro-benzenesulfonamide; oxalic acid CAS Name: 4-chloro-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzenesulfonamide; oxalic acid IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-chlorobenzenesulfonamide; oxalic acid Traditional Name: N-[3-(4-benzylpiperazino)-3-keto-propyl]-4-chloro-benzenesulfonamide; oxalic acid Formula: C22H26ClN3O7S MolecularWeight: 511.97574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24ClN3O3S.C2H2O4/c21-18-6-8-19(9-7-18)28(26,27)22-11-10-20(25)24-14-12-23(13-15-24)16-17-4-2-1-3-5-17;3-1(4)2(5)6/h1-9,22H,10-16H2;(H,3,4)(H,5,6)