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

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-keto-2-(4-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=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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