(3-methoxyphenyl)methyl-methyl-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-methyl-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3-methoxyphenyl)methyl-methyl-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (3-methoxyphenyl)methyl-methyl-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-morpholinosulfonylanilino)ethyl]-m-anisyl-methyl-ammonium Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O5S/c1-23(15-17-4-3-5-19(14-17)28-2)16-21(25)22-18-6-8-20(9-7-18)30(26,27)24-10-12-29-13-11-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1