cyclopropanesulfonamide; ethyl 5-chloranyl-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: cyclopropanesulfonamide; ethyl 5-chloranyl-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: cyclopropanesulfonamide; ethyl 1-(benzenesulfonyl)-5-chloro-indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-5-chloro-2-indolecarboxylic acid ethyl ester; cyclopropanesulfonamide IUPAC Name: cyclopropanesulfonamide; ethyl 1-(benzenesulfonyl)-5-chloroindole-2-carboxylate Traditional Name: 1-besyl-5-chloro-indole-2-carboxylic acid ethyl ester; cyclopropanesulfonamide Formula: C20H21ClN2O6S2 MolecularWeight: 484.97354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)Cl.C1CC1S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)Cl.C1CC1S(=O)(=O)N

InChI

InChI=1S/C17H14ClNO4S.C3H7NO2S/c1-2-23-17(20)16-11-12-10-13(18)8-9-15(12)19(16)24(21,22)14-6-4-3-5-7-14;4-7(5,6)3-1-2-3/h3-11H,2H2,1H3;3H,1-2H2,(H2,4,5,6)