[(2S)-1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-methyl-butan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-3-methylbutan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)[NH+](C)C

Isomeric SMILES

CC(C)[C@@H](CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)[NH+](C)C

InChI

InChI=1S/C21H35N3O4S/c1-16(2)19(23(3)4)15-22-21(25)18-14-17(10-11-20(18)28-5)29(26,27)24-12-8-6-7-9-13-24/h10-11,14,16,19H,6-9,12-13,15H2,1-5H3,(H,22,25)/p+1/t19-/m1/s1