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

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C23H27ClN5O3S+ MolecularWeight: 489.01018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN5O3S/c1-27(15-18-14-25-29(16-18)19-7-3-2-4-8-19)17-23(30)26-22-13-20(9-10-21(22)24)33(31,32)28-11-5-6-12-28/h2-4,7-10,13-14,16H,5-6,11-12,15,17H2,1H3,(H,26,30)/p+1