3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-4-oxidanylidenepent-2-enyl]indole-5-carbaldehyde

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-4-oxidanylidenepent-2-enyl]indole-5-carbaldehyde Openeye Name: 3-methyl-4-[(E)-4-oxopent-2-enyl]-1-(p-tolylsulfonyl)indole-5-carbaldehyde CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-4-oxopent-2-enyl]-5-indolecarboxaldehyde IUPAC Name: 3-methyl-1-(4-methylphenyl)sulfonyl-4-[(E)-4-oxopent-2-enyl]indole-5-carbaldehyde Traditional Name: 4-[(E)-4-ketopent-2-enyl]-3-methyl-1-tosyl-indole-5-carbaldehyde Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3CC=CC(=O)C)C=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3C/C=C/C(=O)C)C=O)C

InChI

InChI=1S/C22H21NO4S/c1-15-7-10-19(11-8-15)28(26,27)23-13-16(2)22-20(6-4-5-17(3)25)18(14-24)9-12-21(22)23/h4-5,7-14H,6H2,1-3H3/b5-4+