2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-1H-indol-3-yl]acetic acid CAS Name: 2-[2-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-chloro-3-piperidinosulfonyl-phenyl)-1H-indol-3-yl]acetic acid Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C4=CC=CC=C4N3)CC(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=C(C4=CC=CC=C4N3)CC(=O)O)Cl

InChI

InChI=1S/C21H21ClN2O4S/c22-17-9-8-14(12-19(17)29(27,28)24-10-4-1-5-11-24)21-16(13-20(25)26)15-6-2-3-7-18(15)23-21/h2-3,6-9,12,23H,1,4-5,10-11,13H2,(H,25,26)