5-chloranyl-2-ethylsulfonyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrimidinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-chloro-2-esyl-pyrimidine-4-carboxamide Formula: C23H23ClN4O4S2 MolecularWeight: 519.03612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O4S2/c1-2-34(31,32)23-26-13-16(24)19(27-23)21(30)28-22-18(15-10-6-7-11-17(15)33-22)20(29)25-12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,25,29)(H,28,30)