dimethyl-[(1S)-2-[(2-methylsulfonylphenyl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-methylsulfonylphenyl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(2-methylsulfonylbenzoyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-methylsulfonylbenzoyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(2-mesylbenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C16H21N2O3S2+ MolecularWeight: 353.47954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=CSC=C2

InChI

InChI=1S/C16H20N2O3S2/c1-18(2)14(12-8-9-22-11-12)10-17-16(19)13-6-4-5-7-15(13)23(3,20)21/h4-9,11,14H,10H2,1-3H3,(H,17,19)/p+1/t14-/m1/s1