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

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]benzenesulfonamide Traditional Name: N-[(1S)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]benzenesulfonamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-21(27-33(31,32)24-15-9-4-10-16-24)26(30)29-19-17-28(18-20-29)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,21,25,27H,17-20H2,1H3/p+1/t21-/m0/s1