(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H25ClN2O6S/c1-2-29-17-4-6-18(7-5-17)32(27,28)25-10-8-24(9-11-25)22(26)16-14-19(23)21-20(15-16)30-12-3-13-31-21/h4-7,14-15H,2-3,8-13H2,1H3