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

Systemtic Name: 2-(2,5-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Openeye Name: 2-(2,5-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde CAS Name: 2-(2,5-dimethylphenyl)-5-(1-pyrrolidinylsulfonyl)-1H-indole-3-carboxaldehyde IUPAC Name: 2-(2,5-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde Traditional Name: 2-(2,5-dimethylphenyl)-5-pyrrolidinosulfonyl-1H-indole-3-carbaldehyde Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCC4)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)N4CCCC4)C=O

InChI

InChI=1S/C21H22N2O3S/c1-14-5-6-15(2)17(11-14)21-19(13-24)18-12-16(7-8-20(18)22-21)27(25,26)23-9-3-4-10-23/h5-8,11-13,22H,3-4,9-10H2,1-2H3