N-[3-[2-(phenylmethyl)pyrrolidin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[2-(phenylmethyl)pyrrolidin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(2-benzylpyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[oxo-[2-(phenylmethyl)-1-pyrrolidinyl]methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(2-benzylpyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(2-benzylpyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5S/c29-26(28-13-5-10-22(28)16-19-6-2-1-3-7-19)20-8-4-9-21(17-20)27-34(30,31)23-11-12-24-25(18-23)33-15-14-32-24/h1-4,6-9,11-12,17-18,22,27H,5,10,13-16H2