(3-chlorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3-chlorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: (3-chlorophenyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: (3-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: (3-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: (3-chlorobenzyl)-[(1R)-2-keto-1-methyl-2-(3-piperidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)[NH+](C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-17(25(2)16-18-8-6-9-19(23)14-18)22(27)24-20-10-7-11-21(15-20)30(28,29)26-12-4-3-5-13-26/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1