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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-[1-(carboxymethyl)-3-indolyl]acetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-(4-besylpiperazino)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O6S/c26-20(27)15-24-14-18(17-8-4-5-9-19(17)24)21(22(28)29)23-10-12-25(13-11-23)32(30,31)16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2,(H,26,27)(H,28,29)