N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C22H28N2O4S2/c1-28-19-11-10-17(30(26,27)24-12-6-2-3-7-13-24)15-18(19)23-22(25)21-14-16-8-4-5-9-20(16)29-21/h10-11,14-15H,2-9,12-13H2,1H3,(H,23,25)