azepan-1-ylsulfonyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-1-ylsulfonyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-1-ylsulfonyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: 1-azepanylsulfonyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: azepan-1-ylsulfonyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: azepan-1-ylsulfonyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C16H26N3O3S2+ MolecularWeight: 372.52594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H25N3O3S2/c1-18(24(21,22)19-11-7-3-4-8-12-19)13-16(20)17-14-9-5-6-10-15(14)23-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,17,20)/p+1