2-(aminomethyl)-3-oxidanylidene-2-(phenylsulfonylamino)-3-[5-(piperidin-4-ylmethoxy)-1H-indol-2-yl]propanoic acid

Systemtic Name: 2-(aminomethyl)-3-oxidanylidene-2-(phenylsulfonylamino)-3-[5-(piperidin-4-ylmethoxy)-1H-indol-2-yl]propanoic acid Openeye Name: 2-(aminomethyl)-2-(benzenesulfonamido)-3-oxo-3-[5-(4-piperidylmethoxy)-1H-indol-2-yl]propanoic acid CAS Name: 2-(aminomethyl)-2-(benzenesulfonamido)-3-oxo-3-[5-(4-piperidinylmethoxy)-1H-indol-2-yl]propanoic acid IUPAC Name: 2-(aminomethyl)-2-(benzenesulfonamido)-3-oxo-3-[5-(piperidin-4-ylmethoxy)-1H-indol-2-yl]propanoic acid Traditional Name: 2-(aminomethyl)-2-(benzenesulfonamido)-3-keto-3-[5-(4-piperidylmethoxy)-1H-indol-2-yl]propionic acid Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC2=CC3=C(C=C2)NC(=C3)C(=O)C(CN)(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1COC2=CC3=C(C=C2)NC(=C3)C(=O)C(CN)(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O6S/c25-15-24(23(30)31,28-35(32,33)19-4-2-1-3-5-19)22(29)21-13-17-12-18(6-7-20(17)27-21)34-14-16-8-10-26-11-9-16/h1-7,12-13,16,26-28H,8-11,14-15,25H2,(H,30,31)