(4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-24(2,3)19-7-5-18(6-8-19)23(27)25-11-13-26(14-12-25)32(28,29)20-9-10-21-22(17-20)31-16-4-15-30-21/h5-10,17H,4,11-16H2,1-3H3