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

Systemtic Name: 4-methoxy-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]-4-methoxy-benzenesulfonamide CAS Name: 4-methoxy-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]-4-methoxybenzenesulfonamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-4-methoxy-benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-17(22-29(26,27)20-10-8-19(28-2)9-11-20)21(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3/p+1/t17-/m0/s1