[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-[(5-pyrrolidinosulfonyl-2-furyl)methyl]ammonium Formula: C19H25BrN3O4S+ MolecularWeight: 471.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=C(O2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CC=C(O2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H24BrN3O4S/c1-14-11-15(20)5-7-17(14)21-18(24)13-22(2)12-16-6-8-19(27-16)28(25,26)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,21,24)/p+1