phenyl 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate

Systemtic Name: phenyl 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate Openeye Name: phenyl 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate CAS Name: 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate Traditional Name: 2-[1-(4-butylphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]valeric acid phenyl ester Formula: C29H34ClNO4S MolecularWeight: 528.10256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C)C(C(CC)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C)C(C(CC)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C29H34ClNO4S/c1-4-6-10-22-13-15-23(16-14-22)21(3)28(29(32)35-25-11-8-7-9-12-25)27(5-2)31-36(33,34)26-19-17-24(30)18-20-26/h7-9,11-21,27-28,31H,4-6,10H2,1-3H3