1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[[5-(3-thienyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[[5-(3-thienyl)benzofuran-2-yl]methyl]-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C22H22N2O3S3/c25-30(26,22-3-1-11-29-22)24-8-2-7-23(9-10-24)15-20-14-19-13-17(4-5-21(19)27-20)18-6-12-28-16-18/h1,3-6,11-14,16H,2,7-10,15H2