N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C22H23ClN2O4S2 MolecularWeight: 479.01202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C22H23ClN2O4S2/c1-29-16-8-11-18-19(14-16)30-21(20(18)23)22(26)24-15-6-9-17(10-7-15)31(27,28)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H,24,26)