N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloropyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-pyrimidine-4-carboxamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H19ClN4O4S2/c22-14-10-24-21(32(29,30)11-12-6-2-1-3-7-12)25-17(14)19(28)26-20-16(18(23)27)13-8-4-5-9-15(13)31-20/h1-3,6-7,10H,4-5,8-9,11H2,(H2,23,27)(H,26,28)