methyl 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propyl-hex-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propyl-hex-2-enyl]benzoate Openeye Name: methyl 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propyl-hex-2-enyl]benzoate CAS Name: 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propylhex-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propylhex-2-enyl]benzoate Traditional Name: 4-[(E,1R)-1-[(4-phenylphenyl)sulfonylamino]-2-propyl-hex-2-enyl]benzoic acid methyl ester Formula: C29H33NO4S MolecularWeight: 491.64162

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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=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO4S/c1-4-6-11-24(10-5-2)28(25-14-16-26(17-15-25)29(31)34-3)30-35(32,33)27-20-18-23(19-21-27)22-12-8-7-9-13-22/h7-9,11-21,28,30H,4-6,10H2,1-3H3/b24-11+/t28-/m1/s1