N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[4-[(E)-cinnamyl]piperazin-1-yl]-3-oxo-propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[4-[(E)-cinnamyl]piperazino]-3-keto-propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)OC1

InChI

InChI=1S/C25H31N3O5S/c29-25(28-16-14-27(15-17-28)13-4-8-21-6-2-1-3-7-21)11-12-26-34(30,31)22-9-10-23-24(20-22)33-19-5-18-32-23/h1-4,6-10,20,26H,5,11-19H2/b8-4+