5-chloranyl-2-propylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-propylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-propylsulfonyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-propylsulfonyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-propylsulfonyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide Formula: C23H24ClN5O4S2 MolecularWeight: 534.05076

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C23H24ClN5O4S2/c1-2-10-35(32,33)23-27-13-16(24)19(28-23)21(31)29-22-18(15-7-3-4-8-17(15)34-22)20(30)26-12-14-6-5-9-25-11-14/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H,26,30)(H,29,31)