N-[6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-oxidanylidene-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-oxidanylidene-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-oxo-hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[6-[2-(3-methoxyphenyl)-1-pyrrolidinyl]-6-oxohexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-oxohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[6-keto-6-[2-(3-methoxyphenyl)pyrrolidino]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H32N2O6S/c1-31-20-8-5-7-19(17-20)22-9-6-14-27(22)25(28)10-3-2-4-13-26-34(29,30)21-11-12-23-24(18-21)33-16-15-32-23/h5,7-8,11-12,17-18,22,26H,2-4,6,9-10,13-16H2,1H3