2-(1-adamantyl)-5-(azepan-1-ylsulfonyl)-1H-indole-3-carbaldehyde

Systemtic Name: 2-(1-adamantyl)-5-(azepan-1-ylsulfonyl)-1H-indole-3-carbaldehyde Openeye Name: 2-(1-adamantyl)-5-(azepan-1-ylsulfonyl)-1H-indole-3-carbaldehyde CAS Name: 2-(1-adamantyl)-5-(1-azepanylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(1-adamantyl)-5-(azepan-1-ylsulfonyl)-1H-indole-3-carbaldehyde Traditional Name: 2-(1-adamantyl)-5-(azepan-1-ylsulfonyl)-1H-indole-3-carbaldehyde Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=C3C=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N2O3S/c28-16-22-21-12-20(31(29,30)27-7-3-1-2-4-8-27)5-6-23(21)26-24(22)25-13-17-9-18(14-25)11-19(10-17)15-25/h5-6,12,16-19,26H,1-4,7-11,13-15H2