methyl (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoate Openeye Name: methyl (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoate CAS Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-[3-(1-imidazolyl)propyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoate Traditional Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)oct-2-enoic acid methyl ester Formula: C21H28ClN3O4S MolecularWeight: 453.98272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCN2C=CN=C2

Isomeric SMILES

COC(=O)/C=C/C(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CCCN2C=CN=C2

InChI

InChI=1S/C21H28ClN3O4S/c1-29-21(26)12-7-18(6-4-15-25-16-14-23-17-25)5-2-3-13-24-30(27,28)20-10-8-19(22)9-11-20/h7-12,14,16-18,24H,2-6,13,15H2,1H3/b12-7+