methyl 2-azanyl-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: methyl 2-amino-3-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: 2-amino-3-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: 2-amino-3-(4-bromo-1-tosyl-indol-3-yl)propionic acid methyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CC(C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CC(C(=O)OC)N

InChI

InChI=1S/C19H19BrN2O4S/c1-12-6-8-14(9-7-12)27(24,25)22-11-13(10-16(21)19(23)26-2)18-15(20)4-3-5-17(18)22/h3-9,11,16H,10,21H2,1-2H3