3-(4-bromophenyl)-2-[[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]methyl]-3-(prop-2-enylamino)propanoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]methyl]-3-(prop-2-enylamino)propanoic acid Openeye Name: 3-(allylamino)-2-[[allyl(p-tolylsulfonyl)amino]methyl]-3-(4-bromophenyl)propanoic acid CAS Name: 3-(4-bromophenyl)-2-[[(4-methylphenyl)sulfonyl-prop-2-enylamino]methyl]-3-(prop-2-enylamino)propanoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[(4-methylphenyl)sulfonyl-prop-2-enylamino]methyl]-3-(prop-2-enylamino)propanoic acid Traditional Name: 3-(allylamino)-2-[[allyl(tosyl)amino]methyl]-3-(4-bromophenyl)propionic acid Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O4S/c1-4-14-25-22(18-8-10-19(24)11-9-18)21(23(27)28)16-26(15-5-2)31(29,30)20-12-6-17(3)7-13-20/h4-13,21-22,25H,1-2,14-16H2,3H3,(H,27,28)