4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-cyclohexyl-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]butan-1-one Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H34N2O5S/c26-23(9-4-8-19-6-2-1-3-7-19)24-12-14-25(15-13-24)31(27,28)20-10-11-21-22(18-20)30-17-5-16-29-21/h10-11,18-19H,1-9,12-17H2