2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-(4-methylsulfonyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-mesylpiperazino)acetic acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C18H23N3O7S/c1-28-12-3-4-15-13(9-12)14(10-20(15)11-16(22)23)17(18(24)25)19-5-7-21(8-6-19)29(2,26)27/h3-4,9-10,17H,5-8,11H2,1-2H3,(H,22,23)(H,24,25)