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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-18-9-5-6-10-20(18)17-25(3)19(2)23(27)24-21-11-13-22(14-12-21)30(28,29)26-15-7-4-8-16-26/h5-6,9-14,19H,4,7-8,15-17H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1