[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-ethyl-4-methyl-2-thienyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(5-ethyl-4-methyl-2-thienyl)methanone Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C21H26N2O5S2/c1-3-19-15(2)13-20(29-19)21(24)22-7-9-23(10-8-22)30(25,26)16-5-6-17-18(14-16)28-12-4-11-27-17/h5-6,13-14H,3-4,7-12H2,1-2H3