N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C=C1

InChI

InChI=1S/C23H28N2O4S2/c1-16-7-8-17-14-22(30-21(17)13-16)23(26)24-19-15-18(9-10-20(19)29-2)31(27,28)25-11-5-3-4-6-12-25/h7-10,13,15,22H,3-6,11-12,14H2,1-2H3,(H,24,26)