N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H26N2O5S/c1-31-19-9-7-18(8-10-19)22(23-16-27-24-6-3-2-5-21(23)24)17-28-34(29,30)20-11-12-25-26(15-20)33-14-4-13-32-25/h2-3,5-12,15-16,22,27-28H,4,13-14,17H2,1H3