N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-(4-methyl-3-piperidinosulfonyl-phenyl)-2H-isoquinoline-3-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-15-9-10-17(14-20(15)30(28,29)25-11-5-2-6-12-25)23-22(27)19-13-16-7-3-4-8-18(16)21(26)24-19/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27)(H,24,26)