3-[(2S)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-(4-methyl-1-piperidyl)-3-oxo-2-(8-quinolylsulfonylamino)propyl]benzamidine CAS Name: 3-[(2S)-3-(4-methyl-1-piperidinyl)-3-oxo-2-(8-quinolinylsulfonylamino)propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-(4-methylpiperidin-1-yl)-3-oxo-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-3-(4-methylpiperidino)-2-(8-quinolylsulfonylamino)propyl]benzamidine Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H29N5O3S/c1-17-10-13-30(14-11-17)25(31)21(16-18-5-2-7-20(15-18)24(26)27)29-34(32,33)22-9-3-6-19-8-4-12-28-23(19)22/h2-9,12,15,17,21,29H,10-11,13-14,16H2,1H3,(H3,26,27)/t21-/m0/s1