2-[3-(phenylsulfonyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(phenylsulfonyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(benzenesulfonyl)indol-1-yl]acetic acid CAS Name: 2-[3-(benzenesulfonyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(benzenesulfonyl)indol-1-yl]acetic acid Traditional Name: 2-(3-besylindol-1-yl)acetic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C16H13NO4S/c18-16(19)11-17-10-15(13-8-4-5-9-14(13)17)22(20,21)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19)