2-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]-methyl-amino]ethanesulfonic acid Openeye Name: 2-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]-methyl-amino]ethanesulfonic acid CAS Name: 2-[[4-[4-[[(3-cyano-1H-indol-5-yl)-ethylamino]-oxomethyl]phenyl]-2-pyrimidinyl]-methylamino]ethanesulfonic acid IUPAC Name: 2-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethylcarbamoyl]phenyl]pyrimidin-2-yl]-methylamino]ethanesulfonic acid Traditional Name: 2-[[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]-methyl-amino]ethanesulfonic acid Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)N(C)CCS(=O)(=O)O

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)N(C)CCS(=O)(=O)O

InChI

InChI=1S/C25H24N6O4S/c1-3-31(20-8-9-23-21(14-20)19(15-26)16-28-23)24(32)18-6-4-17(5-7-18)22-10-11-27-25(29-22)30(2)12-13-36(33,34)35/h4-11,14,16,28H,3,12-13H2,1-2H3,(H,33,34,35)