dimethyl-[(2S)-1-phenyl-3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(3-piperidinosulfonylbenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-25(2)21(16-19-10-5-3-6-11-19)18-24-23(27)20-12-9-13-22(17-20)30(28,29)26-14-7-4-8-15-26/h3,5-6,9-13,17,21H,4,7-8,14-16,18H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1