N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O6S/c28-23-12-17(15-27(23)19-8-9-21-22(14-19)33-16-32-21)24(29)25-18-6-5-7-20(13-18)34(30,31)26-10-3-1-2-4-11-26/h5-9,13-14,17H,1-4,10-12,15-16H2,(H,25,29)