3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1H-indole

Systemtic Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1H-indole Openeye Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-1H-indole CAS Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-1H-indole IUPAC Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-1H-indole Traditional Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-1H-indole Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C22H24N2O4S/c25-29(26,17-6-7-21-22(14-17)28-13-3-12-27-21)24-10-8-16(9-11-24)19-15-23-20-5-2-1-4-18(19)20/h1-2,4-7,14-16,23H,3,8-13H2