[(2S,3S)-3-methyl-1-oxidanylidene-1-[(4-sulfamoylphenyl)methylamino]pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-oxidanylidene-1-[(4-sulfamoylphenyl)methylamino]pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[(4-sulfamoylphenyl)methylcarbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-oxo-1-[(4-sulfamoylphenyl)methylamino]pentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-oxo-1-[(4-sulfamoylphenyl)methylamino]pentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[(4-sulfamoylbenzyl)carbamoyl]butyl]ammonium Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH3+]

InChI

InChI=1S/C13H21N3O3S/c1-3-9(2)12(14)13(17)16-8-10-4-6-11(7-5-10)20(15,18)19/h4-7,9,12H,3,8,14H2,1-2H3,(H,16,17)(H2,15,18,19)/p+1/t9-,12-/m0/s1