methyl 2-[(2-azanyl-5-bromanyl-phenyl)methyl-methylsulfonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(2-azanyl-5-bromanyl-phenyl)methyl-methylsulfonyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(2-amino-5-bromo-phenyl)methyl-methylsulfonyl-amino]-3-phenyl-propanoate CAS Name: 2-[(2-amino-5-bromophenyl)methyl-methylsulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-bromophenyl)methyl-methylsulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(2-amino-5-bromo-benzyl)-mesyl-amino]-3-phenyl-propionic acid methyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CC2=C(C=CC(=C2)Br)N)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(CC2=C(C=CC(=C2)Br)N)S(=O)(=O)C

InChI

InChI=1S/C18H21BrN2O4S/c1-25-18(22)17(10-13-6-4-3-5-7-13)21(26(2,23)24)12-14-11-15(19)8-9-16(14)20/h3-9,11,17H,10,12,20H2,1-2H3