N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-chloranyl-thieno[2,3-b]thiophene-5-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-chloranyl-thieno[2,3-b]thiophene-5-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-chloro-thieno[2,3-b]thiophene-5-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-chloro-5-thieno[2,3-b]thiophenecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-chlorothieno[2,3-b]thiophene-5-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-chloro-thieno[2,3-b]thiophene-5-carboxamide Formula: C20H21ClN2O4S3 MolecularWeight: 485.03974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(C4=C(S3)SC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(C4=C(S3)SC=C4)Cl

InChI

InChI=1S/C20H21ClN2O4S3/c1-27-16-7-6-13(30(25,26)23-9-4-2-3-5-10-23)12-15(16)22-19(24)18-17(21)14-8-11-28-20(14)29-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,22,24)