2-bromanyl-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide; (E)-but-2-enedioic acid

Systemtic Name: 2-bromanyl-5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide; (E)-but-2-enedioic acid Openeye Name: 2-bromo-5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzenesulfonamide; fumaric acid CAS Name: 2-bromo-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide; (E)-2-butenedioic acid IUPAC Name: 2-bromo-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide; (E)-but-2-enedioic acid Traditional Name: 2-bromo-5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]benzenesulfonamide; fumaric acid Formula: C22H27BrN2O7S MolecularWeight: 543.42798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)Br)S(=O)(=O)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)Br)S(=O)(=O)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23BrN2O3S.C4H4O4/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24;5-3(6)1-2-4(7)8/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+