methyl (3S)-3-[1-(phenylsulfonyl)indol-3-yl]butanoate

Systemtic Name: methyl (3S)-3-[1-(phenylsulfonyl)indol-3-yl]butanoate Openeye Name: methyl (3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanoate CAS Name: (3S)-3-[1-(benzenesulfonyl)-3-indolyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanoate Traditional Name: (3S)-3-(1-besylindol-3-yl)butyric acid methyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(=O)OC)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c1-14(12-19(21)24-2)17-13-20(18-11-7-6-10-16(17)18)25(22,23)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1