N-[2-methyl-5-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[2-methyl-5-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[2-methyl-5-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[5-(2-ketopyrrolidino)-2-methyl-phenyl]sulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCC2=O)S(=O)(=O)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCC2=O)S(=O)(=O)NC(=O)C3CC4=CC=CC=C4CN3

InChI

InChI=1S/C21H23N3O4S/c1-14-8-9-17(24-10-4-7-20(24)25)12-19(14)29(27,28)23-21(26)18-11-15-5-2-3-6-16(15)13-22-18/h2-3,5-6,8-9,12,18,22H,4,7,10-11,13H2,1H3,(H,23,26)