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

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O4S/c1-17-6-8-19(9-7-17)22-21(25)16-23(2)15-18-4-3-5-20(14-18)29(26,27)24-10-12-28-13-11-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1