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

Systemtic Name: 4-[(5-cyano-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-N-(cyclopropylmethyl)benzenesulfonamide Openeye Name: 4-[(5-cyano-4-prop-2-ynoxy-pyrimidin-2-yl)amino]-N-(cyclopropylmethyl)benzenesulfonamide CAS Name: 4-[(5-cyano-4-prop-2-ynoxy-2-pyrimidinyl)amino]-N-(cyclopropylmethyl)benzenesulfonamide IUPAC Name: 4-[(5-cyano-4-prop-2-ynoxypyrimidin-2-yl)amino]-N-(cyclopropylmethyl)benzenesulfonamide Traditional Name: 4-[(5-cyano-4-propargyloxy-pyrimidin-2-yl)amino]-N-(cyclopropylmethyl)benzenesulfonamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC3CC3

Isomeric SMILES

C#CCOC1=NC(=NC=C1C#N)NC2=CC=C(C=C2)S(=O)(=O)NCC3CC3

InChI

InChI=1S/C18H17N5O3S/c1-2-9-26-17-14(10-19)12-20-18(23-17)22-15-5-7-16(8-6-15)27(24,25)21-11-13-3-4-13/h1,5-8,12-13,21H,3-4,9,11H2,(H,20,22,23)