2-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H26N4O6S2/c1-14(20(27)23-21-16(19(22)26)5-12-32-21)24-6-8-25(9-7-24)33(28,29)15-3-4-17-18(13-15)31-11-2-10-30-17/h3-5,12-14H,2,6-11H2,1H3,(H2,22,26)(H,23,27)