[(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1S)-2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-17(25(2)16-18-9-5-3-6-10-18)22(27)24-21-15-19(11-12-20(21)23)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1