N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-(2-pyrimidylamino)benzamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C20H21N5O4S2/c26-19(15-3-1-4-16(13-15)24-20-21-7-2-8-22-20)23-14-17-5-6-18(30-17)31(27,28)25-9-11-29-12-10-25/h1-8,13H,9-12,14H2,(H,23,26)(H,21,22,24)