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

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-23(14-16-7-3-2-4-8-16)15-20(25)22-19-13-17(9-10-18(19)21)28(26,27)24-11-5-6-12-24/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,22,25)/p+1