methyl 3-(4-chloranylbutyl)-1-(phenylsulfonyl)indole-5-carboxylate

Systemtic Name: methyl 3-(4-chloranylbutyl)-1-(phenylsulfonyl)indole-5-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-3-(4-chlorobutyl)indole-5-carboxylate CAS Name: 1-(benzenesulfonyl)-3-(4-chlorobutyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-3-(4-chlorobutyl)indole-5-carboxylate Traditional Name: 1-besyl-3-(4-chlorobutyl)indole-5-carboxylic acid methyl ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CCCCCl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CCCCCl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO4S/c1-26-20(23)15-10-11-19-18(13-15)16(7-5-6-12-21)14-22(19)27(24,25)17-8-3-2-4-9-17/h2-4,8-11,13-14H,5-7,12H2,1H3