(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-phenyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H25N3O3S/c1-16-8-10-18(11-9-16)27(25,26)23-13-5-12-22(14-15-23)19(20(21)24)17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3,(H2,21,24)/p+1/t19-/m0/s1