4-[(5-cyano-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide

Systemtic Name: 4-[(5-cyano-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Openeye Name: 4-[(5-cyano-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide CAS Name: 4-[(5-cyano-4-prop-2-ynoxy-2-pyrimidinyl)amino]-N-(3-methoxypropyl)benzenesulfonamide IUPAC Name: 4-[(5-cyano-4-prop-2-ynoxypyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Traditional Name: 4-[(5-cyano-4-propargyloxy-pyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

Isomeric SMILES

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

InChI

InChI=1S/C18H19N5O4S/c1-3-10-27-17-14(12-19)13-20-18(23-17)22-15-5-7-16(8-6-15)28(24,25)21-9-4-11-26-2/h1,5-8,13,21H,4,9-11H2,2H3,(H,20,22,23)