methyl 3-methanoyl-2-[(E)-4-(phenylsulfonyl)but-3-enyl]indole-1-carboxylate

Systemtic Name: methyl 3-methanoyl-2-[(E)-4-(phenylsulfonyl)but-3-enyl]indole-1-carboxylate Openeye Name: methyl 2-[(E)-4-(benzenesulfonyl)but-3-enyl]-3-formyl-indole-1-carboxylate CAS Name: 2-[(E)-4-(benzenesulfonyl)but-3-enyl]-3-formyl-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-4-(benzenesulfonyl)but-3-enyl]-3-formylindole-1-carboxylate Traditional Name: 2-[(E)-4-besylbut-3-enyl]-3-formyl-indole-1-carboxylic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C2=CC=CC=C2C(=C1CCC=CS(=O)(=O)C3=CC=CC=C3)C=O

Isomeric SMILES

COC(=O)N1C2=CC=CC=C2C(=C1CC/C=C/S(=O)(=O)C3=CC=CC=C3)C=O

InChI

InChI=1S/C21H19NO5S/c1-27-21(24)22-19-12-6-5-11-17(19)18(15-23)20(22)13-7-8-14-28(25,26)16-9-3-2-4-10-16/h2-6,8-12,14-15H,7,13H2,1H3/b14-8+