5-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCCCC4)C=O)C

InChI

InChI=1S/C23H26N2O3S/c1-16-7-9-19(17(2)13-16)23-21(15-26)20-14-18(8-10-22(20)24-23)29(27,28)25-11-5-3-4-6-12-25/h7-10,13-15,24H,3-6,11-12H2,1-2H3