4-tert-butyl-N-[(3S)-2-oxidanylidene-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[(3S)-2-oxidanylidene-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[(3S)-2-oxo-1-[2-(4-pyridylamino)ethyl]pyrrolidin-3-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[(3S)-2-oxo-1-[2-(pyridin-4-ylamino)ethyl]-3-pyrrolidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[(3S)-2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[(3S)-2-keto-1-[2-(4-pyridylamino)ethyl]pyrrolidin-3-yl]benzenesulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2CCN(C2=O)CCNC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCN(C2=O)CCNC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-6-18(7-5-16)29(27,28)24-19-10-14-25(20(19)26)15-13-23-17-8-11-22-12-9-17/h4-9,11-12,19,24H,10,13-15H2,1-3H3,(H,22,23)/t19-/m0/s1