4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[(5-morpholinosulfonyl-2-thienyl)methyl]butyramide Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C22H26N2O7S2/c25-18(16-2-5-19-20(14-16)31-11-1-10-30-19)4-6-21(26)23-15-17-3-7-22(32-17)33(27,28)24-8-12-29-13-9-24/h2-3,5,7,14H,1,4,6,8-13,15H2,(H,23,26)