N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(pyrimidin-2-ylamino)butanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(pyrimidin-2-ylamino)butanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-(pyrimidin-2-ylamino)butanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-(2-pyrimidinylamino)butanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(pyrimidin-2-ylamino)butanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4-(2-pyrimidylamino)butyramide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCCNC2=NC=CC=N2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCCNC2=NC=CC=N2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N5O4S/c1-2-29-17-9-8-16(15-18(17)30(27,28)25-13-3-4-14-25)24-19(26)7-5-10-21-20-22-11-6-12-23-20/h6,8-9,11-12,15H,2-5,7,10,13-14H2,1H3,(H,24,26)(H,21,22,23)