methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+](C)CC3=CC=CC=C3

InChI

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