(4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl]azanium Traditional Name: (4-tert-butylbenzyl)-[(1S)-2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl]-methyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H29N3O3S/c1-15(20(25)23-18-7-6-8-19(13-18)28(22,26)27)24(5)14-16-9-11-17(12-10-16)21(2,3)4/h6-13,15H,14H2,1-5H3,(H,23,25)(H2,22,26,27)/p+1/t15-/m0/s1