methyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1R)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(2R)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1R)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17(23(2)16-18-7-4-3-5-8-18)21(25)22-19-9-6-10-20(15-19)29(26,27)24-11-13-28-14-12-24/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1