5-(azepan-1-ylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carbaldehyde

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(4-tert-butylphenyl)-1H-indole-3-carbaldehyde Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-25(2,3)19-10-8-18(9-11-19)24-22(17-28)21-16-20(12-13-23(21)26-24)31(29,30)27-14-6-4-5-7-15-27/h8-13,16-17,26H,4-7,14-15H2,1-3H3