1-(cyanomethyl)-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-2-oxidanylidene-quinoline-6-sulfonamide

Systemtic Name: 1-(cyanomethyl)-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-2-oxidanylidene-quinoline-6-sulfonamide Openeye Name: 1-(cyanomethyl)-N-[2-[[[(1S)-2-cyclopentyl-1-methyl-ethyl]amino]methyl]phenyl]-2-oxo-quinoline-6-sulfonamide CAS Name: 1-(cyanomethyl)-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-2-oxo-6-quinolinesulfonamide IUPAC Name: 1-(cyanomethyl)-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-2-oxoquinoline-6-sulfonamide Traditional Name: 1-(cyanomethyl)-N-[2-[[[(1S)-2-cyclopentyl-1-methyl-ethyl]amino]methyl]phenyl]-2-keto-quinoline-6-sulfonamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C=C4)CC#N

Isomeric SMILES

C[C@@H](CC1CCCC1)NCC2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C=C4)CC#N

InChI

InChI=1S/C26H30N4O3S/c1-19(16-20-6-2-3-7-20)28-18-22-8-4-5-9-24(22)29-34(32,33)23-11-12-25-21(17-23)10-13-26(31)30(25)15-14-27/h4-5,8-13,17,19-20,28-29H,2-3,6-7,15-16,18H2,1H3/t19-/m0/s1