3-[[(3S)-2-oxidanylidene-3-[(4-pyridin-3-ylphenyl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-2-oxidanylidene-3-[(4-pyridin-3-ylphenyl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-2-oxo-3-[[4-(3-pyridyl)phenyl]sulfonylamino]pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-2-oxo-3-[[4-(3-pyridinyl)phenyl]sulfonylamino]-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-2-oxo-3-[(4-pyridin-3-ylphenyl)sulfonylamino]pyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[[4-(3-pyridyl)phenyl]sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H23N5O3S/c24-22(25)18-4-1-3-16(13-18)15-28-12-10-21(23(28)29)27-32(30,31)20-8-6-17(7-9-20)19-5-2-11-26-14-19/h1-9,11,13-14,21,27H,10,12,15H2,(H3,24,25)/t21-/m0/s1