(5-chloranylthiophen-2-yl)methyl-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-keto-2-(4-mesylanilino)ethyl]ammonium Formula: C17H20ClN2O3S2+ MolecularWeight: 399.9353

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O3S2/c1-3-10-20(11-14-6-9-16(18)24-14)12-17(21)19-13-4-7-15(8-5-13)25(2,22)23/h3-9H,1,10-12H2,2H3,(H,19,21)/p+1