[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-24(14-16-5-7-17(29-2)8-6-16)15-21(26)23-20-13-18(9-10-19(20)22)30(27,28)25-11-3-4-12-25/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,26)/p+1