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

Systemtic Name: N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-keto-3-[4-(2-thenyl)piperazino]propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)CC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)N3CCN(CC3)CC4=CC=CS4)OC1

InChI

InChI=1S/C21H27N3O5S2/c25-21(24-10-8-23(9-11-24)16-17-3-1-14-30-17)6-7-22-31(26,27)18-4-5-19-20(15-18)29-13-2-12-28-19/h1,3-5,14-15,22H,2,6-13,16H2