methyl 4-[(E,1R)-2-propyl-1-(quinolin-8-ylsulfonylamino)hex-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,1R)-2-propyl-1-(quinolin-8-ylsulfonylamino)hex-2-enyl]benzoate Openeye Name: methyl 4-[(E,1R)-2-propyl-1-(8-quinolylsulfonylamino)hex-2-enyl]benzoate CAS Name: 4-[(E,1R)-2-propyl-1-(8-quinolinylsulfonylamino)hex-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,1R)-2-propyl-1-(quinolin-8-ylsulfonylamino)hex-2-enyl]benzoate Traditional Name: 4-[(E,1R)-2-propyl-1-(8-quinolylsulfonylamino)hex-2-enyl]benzoic acid methyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CCC)C(C1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCC/C=C(\CCC)/[C@H](C1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C26H30N2O4S/c1-4-6-10-19(9-5-2)24(21-14-16-22(17-15-21)26(29)32-3)28-33(30,31)23-13-7-11-20-12-8-18-27-25(20)23/h7-8,10-18,24,28H,4-6,9H2,1-3H3/b19-10+/t24-/m1/s1