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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-isopropylphenyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(4-propan-2-ylphenyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-p-cumenyl-methanone Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-17(2)18-4-6-19(7-5-18)23(26)24-10-12-25(13-11-24)31(27,28)20-8-9-21-22(16-20)30-15-3-14-29-21/h4-9,16-17H,3,10-15H2,1-2H3