1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-ethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-p-phenetylsulfonyl-piperazine Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S2/c1-2-28-17-4-6-18(7-5-17)31(24,25)22-10-12-23(13-11-22)32(26,27)19-8-9-20-21(16-19)30-15-3-14-29-20/h4-9,16H,2-3,10-15H2,1H3