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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(4-methoxy-3-methyl-phenyl)-1H-indole-3-carbaldehyde Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(4-methoxy-3-methyl-phenyl)-1H-indole-3-carbaldehyde CAS Name: 5-(1-azepanylsulfonyl)-2-(4-methoxy-3-methylphenyl)-1H-indole-3-carboxaldehyde IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(4-methoxy-3-methylphenyl)-1H-indole-3-carbaldehyde Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(4-methoxy-3-methyl-phenyl)-1H-indole-3-carbaldehyde Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-16-13-17(7-10-22(16)29-2)23-20(15-26)19-14-18(8-9-21(19)24-23)30(27,28)25-11-5-3-4-6-12-25/h7-10,13-15,24H,3-6,11-12H2,1-2H3