1-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)isoquinoline-3-carboxamide CAS Name: 1-chloro-N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)isoquinoline-3-carboxamide Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-2-31-20-8-7-16(32(28,29)26-9-11-30-12-10-26)14-18(20)25-22(27)19-13-15-5-3-4-6-17(15)21(23)24-19/h3-8,13-14H,2,9-12H2,1H3,(H,25,27)