[(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]-[(2-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]-[(2-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-1-methyl-2-oxo-ethyl]-[(2-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl]-[(2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl]-[(2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-[5-(dimethylsulfamoyl)-2-methyl-anilino]-2-keto-1-methyl-ethyl]-methyl-o-anisyl-ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2OC

InChI

InChI=1S/C21H29N3O4S/c1-15-11-12-18(29(26,27)23(3)4)13-19(15)22-21(25)16(2)24(5)14-17-9-7-8-10-20(17)28-6/h7-13,16H,14H2,1-6H3,(H,22,25)/p+1/t16-/m0/s1