2-[3-[(4-bromophenyl)amino]-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-[(4-bromophenyl)amino]-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[3-(4-bromoanilino)-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[3-(4-bromoanilino)-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[3-(4-bromoanilino)-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[3-(4-bromoanilino)-4-[(4-butylphenyl)sulfonylamino]phenoxy]-3-phenyl-propionic acid Formula: C31H31BrN2O5S MolecularWeight: 623.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)OC(CC3=CC=CC=C3)C(=O)O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C31H31BrN2O5S/c1-2-3-7-22-10-17-27(18-11-22)40(37,38)34-28-19-16-26(21-29(28)33-25-14-12-24(32)13-15-25)39-30(31(35)36)20-23-8-5-4-6-9-23/h4-6,8-19,21,30,33-34H,2-3,7,20H2,1H3,(H,35,36)