(2-methoxyphenyl)methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (2-methoxyphenyl)methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (2-methoxyphenyl)methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(2-thienylmethyl)ammonium CAS Name: (2-methoxyphenyl)methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (2-methoxyphenyl)methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-o-anisyl-(2-thenyl)ammonium Formula: C25H30N3O4S2+ MolecularWeight: 500.6534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C[NH+](CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H29N3O4S2/c1-32-24-9-3-2-7-20(24)17-27(18-22-8-6-16-33-22)19-25(29)26-21-10-12-23(13-11-21)34(30,31)28-14-4-5-15-28/h2-3,6-13,16H,4-5,14-15,17-19H2,1H3,(H,26,29)/p+1