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

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[(3-piperidinosulfonylbenzoyl)amino]ethyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-24(2)17-21(18-10-5-3-6-11-18)23-22(26)19-12-9-13-20(16-19)29(27,28)25-14-7-4-8-15-25/h3,5-6,9-13,16,21H,4,7-8,14-15,17H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1