[3-[(3-methoxy-1-phenyl-indol-2-yl)carbonylamino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(3-methoxy-1-phenyl-indol-2-yl)carbonylamino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-[(3-methoxy-1-phenyl-indole-2-carbonyl)amino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[[(3-methoxy-1-phenyl-2-indolyl)-oxomethyl]amino]propyl] ester IUPAC Name: [2-hydroxy-3-[(3-methoxy-1-phenylindole-2-carbonyl)amino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[(3-methoxy-1-phenyl-indole-2-carbonyl)amino]propyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(=O)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC(=O)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)OC)O

InChI

InChI=1S/C26H26N2O6S/c1-18-12-14-21(15-13-18)35(31,32)34-17-20(29)16-27-26(30)24-25(33-2)22-10-6-7-11-23(22)28(24)19-8-4-3-5-9-19/h3-15,20,29H,16-17H2,1-2H3,(H,27,30)