N-[(5-chloranylthiophen-2-yl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-benzamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-benzamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-benzamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylbenzamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylbenzamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-benzamide Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21ClN2O5S2/c1-25(14-17-7-10-21(23)31-17)22(26)15-3-5-16(6-4-15)24-32(27,28)18-8-9-19-20(13-18)30-12-2-11-29-19/h3-10,13,24H,2,11-12,14H2,1H3