methyl 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(p-tolylsulfonylamino)ethyl]indol-1-yl]propanoate CAS Name: 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoate Traditional Name: 3-[3-[2-(tosylamino)ethyl]indol-1-yl]propionic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCC(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-16-7-9-18(10-8-16)28(25,26)22-13-11-17-15-23(14-12-21(24)27-2)20-6-4-3-5-19(17)20/h3-10,15,22H,11-14H2,1-2H3