N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]propionamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC(=O)NC4=C(C=CS4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC(=O)NC4=C(C=CS4)C#N)OC1

InChI

InChI=1S/C21H24N4O5S2/c22-15-16-5-13-31-21(16)23-20(26)4-6-24-7-9-25(10-8-24)32(27,28)17-2-3-18-19(14-17)30-12-1-11-29-18/h2-3,5,13-14H,1,4,6-12H2,(H,23,26)