[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

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