methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N5O3S/c1-26(16-19-15-24-28(17-19)21-9-3-2-4-10-21)18-23(29)25-20-8-7-11-22(14-20)32(30,31)27-12-5-6-13-27/h2-4,7-11,14-15,17H,5-6,12-13,16,18H2,1H3,(H,25,29)/p+1