N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H27N3O5S/c1-2-24-10-12-25(13-11-24)31(27,28)19-7-5-18(6-8-19)23-22(26)17-4-9-20-21(16-17)30-15-3-14-29-20/h4-9,16H,2-3,10-15H2,1H3,(H,23,26)