[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-phenoxysulfonylethyl)azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(2-phenoxysulfonylethyl)azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-(2-phenoxysulfonylethyl)ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-(2-phenoxysulfonylethyl)ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-(2-phenoxysulfonylethyl)azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-(2-phenoxysulfonylethyl)ammonium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H25N3O5S/c1-3-23(13-14-29(26,27)28-19-7-5-4-6-8-19)15-20(25)22-18-11-9-17(10-12-18)21-16(2)24/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25)/p+1