dimethyl-[(2S)-2-phenyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]ethyl]ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-22(2)15-18(16-8-4-3-5-9-16)21-20(24)17-10-6-12-23(14-17)28(25,26)19-11-7-13-27-19/h3-5,7-9,11,13,17-18H,6,10,12,14-15H2,1-2H3,(H,21,24)/p+1/t17-,18+/m0/s1