N-[4-(2-pyridin-4-ylpyrrolidin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(2-pyridin-4-ylpyrrolidin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-[2-(4-pyridyl)pyrrolidine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[oxo-(2-pyridin-4-yl-1-pyrrolidinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(2-pyridin-4-ylpyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-[2-(4-pyridyl)pyrrolidine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=NC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=NC=C5

InChI

InChI=1S/C25H25N3O5S/c29-25(28-14-1-3-22(28)18-10-12-26-13-11-18)19-4-6-20(7-5-19)27-34(30,31)21-8-9-23-24(17-21)33-16-2-15-32-23/h4-13,17,22,27H,1-3,14-16H2