diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-piperidinosulfonylbenzoyl)amino]ethyl]ammonium Formula: C25H36N3O4S+ MolecularWeight: 474.63604

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H35N3O4S/c1-4-27(5-2)24(20-11-9-13-22(17-20)32-3)19-26-25(29)21-12-10-14-23(18-21)33(30,31)28-15-7-6-8-16-28/h9-14,17-18,24H,4-8,15-16,19H2,1-3H3,(H,26,29)/p+1/t24-/m1/s1