methyl (E)-8-[(4-azidophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-8-[(4-azidophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Openeye Name: methyl (E)-8-[(4-azidophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoate CAS Name: (E)-8-[(4-azidophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[(4-azidophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Traditional Name: (E)-8-[(4-azidophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid methyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCNS(=O)(=O)C1=CC=C(C=C1)N=[N+]=[N-])CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)/C=C/C(CCCCNS(=O)(=O)C1=CC=C(C=C1)N=[N+]=[N-])CCCC2=CN=CC=C2

InChI

InChI=1S/C23H29N5O4S/c1-32-23(29)15-10-19(7-4-8-20-9-5-16-25-18-20)6-2-3-17-26-33(30,31)22-13-11-21(12-14-22)27-28-24/h5,9-16,18-19,26H,2-4,6-8,17H2,1H3/b15-10+