3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-p-phenetylsulfonylpiperazino)methanone Formula: C22H26N2O6S MolecularWeight: 446.51664

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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)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-2-28-18-5-7-19(8-6-18)31(26,27)24-12-10-23(11-13-24)22(25)17-4-9-20-21(16-17)30-15-3-14-29-20/h4-9,16H,2-3,10-15H2,1H3