N-[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]-4-[(4-ethanoylphenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]-4-[(4-ethanoylphenyl)sulfonylamino]benzenecarboximidate Openeye Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]benzenecarboximidate CAS Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[(2S)-2-(dimethylammonio)-2-(3-thiophenyl)ethyl]benzenecarboximidate IUPAC Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-ylethyl]benzenecarboximidate Traditional Name: 4-[(4-acetylphenyl)sulfonylamino]-N-[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]benzenecarboximidate Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NCC(C3=CSC=C3)[NH+](C)C)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=NC[C@H](C3=CSC=C3)[NH+](C)C)[O-]

InChI

InChI=1S/C23H25N3O4S2/c1-16(27)17-6-10-21(11-7-17)32(29,30)25-20-8-4-18(5-9-20)23(28)24-14-22(26(2)3)19-12-13-31-15-19/h4-13,15,22,25H,14H2,1-3H3,(H,24,28)/t22-/m1/s1