5-(azepan-1-ylsulfonyl)-2-(3-fluoranyl-4-methoxy-phenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(3-fluoranyl-4-methoxy-phenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(3-fluoro-4-methoxy-phenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(3-fluoro-4-methoxyphenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(3-fluoro-4-methoxyphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(3-fluoro-4-methoxy-phenyl)-1H-indole-3-carbaldehyde Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O)F

InChI

InChI=1S/C22H23FN2O4S/c1-29-21-9-6-15(12-19(21)23)22-18(14-26)17-13-16(7-8-20(17)24-22)30(27,28)25-10-4-2-3-5-11-25/h6-9,12-14,24H,2-5,10-11H2,1H3