3-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-3-chloro-benzenesulfonamide CAS Name: 3-chloro-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-3-chlorobenzenesulfonamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-3-chloro-benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-16(22-28(26,27)19-9-5-8-18(21)14-19)20(25)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h2-9,14,16,22H,10-13,15H2,1H3/p+1/t16-/m0/s1