N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-1-keto-2H-isoquinoline-3-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O5S/c1-2-30-19-10-9-16(14-20(19)31(28,29)25-11-5-6-12-25)23-22(27)18-13-15-7-3-4-8-17(15)21(26)24-18/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27)(H,24,26)