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

Systemtic Name: N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c25-17-4-2-16(3-5-17)23-8-10-24(11-9-23)21(26)15-22-31(27,28)18-6-7-19-20(14-18)30-13-1-12-29-19/h2-7,14,22,25H,1,8-13,15H2