2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-(5-methoxy-1H-indol-3-yl)-2-(4-tosylpiperazino)acetic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H25N3O5S/c1-15-3-6-17(7-4-15)31(28,29)25-11-9-24(10-12-25)21(22(26)27)19-14-23-20-8-5-16(30-2)13-18(19)20/h3-8,13-14,21,23H,9-12H2,1-2H3,(H,26,27)