7-[5-[(4-fluoranylphenoxy)methyl]thiophen-2-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 7-[5-[(4-fluoranylphenoxy)methyl]thiophen-2-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 7-[[5-[(4-fluorophenoxy)methyl]-2-thienyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 7-[[5-[(4-fluorophenoxy)methyl]-2-thiophenyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 7-[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]sulfonyl-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 7-[[5-[(4-fluorophenoxy)methyl]-2-thienyl]sulfonyl]-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C23H24FNO4S2 MolecularWeight: 461.569363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(S3)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

CN1CCC2=CC(=C(C=C2CC1)S(=O)(=O)C3=CC=C(S3)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C23H24FNO4S2/c1-25-11-9-16-13-21(28-2)22(14-17(16)10-12-25)31(26,27)23-8-7-20(30-23)15-29-19-5-3-18(24)4-6-19/h3-8,13-14H,9-12,15H2,1-2H3