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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-[1-(carboxymethyl)-5-methoxy-3-indolyl]acetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(carboxymethyl)-5-methoxyindol-3-yl]acetic acid Traditional Name: 2-(4-besylpiperazino)-2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]acetic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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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)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C23H25N3O7S/c1-33-16-7-8-20-18(13-16)19(14-25(20)15-21(27)28)22(23(29)30)24-9-11-26(12-10-24)34(31,32)17-5-3-2-4-6-17/h2-8,13-14,22H,9-12,15H2,1H3,(H,27,28)(H,29,30)