3-[[(3S)-2-oxidanylidene-3-(quinolin-7-ylsulfonylamino)pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-2-oxidanylidene-3-(quinolin-7-ylsulfonylamino)pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-2-oxo-3-(7-quinolylsulfonylamino)pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-2-oxo-3-(7-quinolinylsulfonylamino)-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-2-oxo-3-(quinolin-7-ylsulfonylamino)pyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-(7-quinolylsulfonylamino)pyrrolidino]methyl]benzamidine Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(C=CC=N3)C=C2)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(C=CC=N3)C=C2)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H21N5O3S/c22-20(23)16-4-1-3-14(11-16)13-26-10-8-18(21(26)27)25-30(28,29)17-7-6-15-5-2-9-24-19(15)12-17/h1-7,9,11-12,18,25H,8,10,13H2,(H3,22,23)/t18-/m0/s1