dimethyl-[(2S)-2-phenyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]ethyl]ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-22(2)15-18(16-7-4-3-5-8-16)21-20(24)17-10-12-23(13-11-17)28(25,26)19-9-6-14-27-19/h3-9,14,17-18H,10-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1