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

Systemtic Name: methyl 3-[2-bromanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoate Openeye Name: methyl 3-[2-bromo-3-[2-(p-tolylsulfonylamino)ethyl]indol-1-yl]propanoate CAS Name: 3-[2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoate Traditional Name: 3-[2-bromo-3-[2-(tosylamino)ethyl]indol-1-yl]propionic acid methyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-15-7-9-16(10-8-15)29(26,27)23-13-11-18-17-5-3-4-6-19(17)24(21(18)22)14-12-20(25)28-2/h3-10,23H,11-14H2,1-2H3