methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H30N4O3S/c1-17(22(27)24-19-10-12-20(13-11-19)30(23,28)29)25(2)16-18-8-4-5-9-21(18)26-14-6-3-7-15-26/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H,24,27)(H2,23,28,29)/p+1/t17-/m0/s1