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

Systemtic Name: phenyl 2-[1-(4-butoxyphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate Openeye Name: phenyl 2-[1-(4-butoxyphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate CAS Name: 2-[1-(4-butoxyphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-butoxyphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]pentanoate Traditional Name: 2-[1-(4-butoxyphenyl)ethyl]-3-[(4-chlorophenyl)sulfonylamino]valeric acid phenyl ester Formula: C29H34ClNO5S MolecularWeight: 544.10196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C29H34ClNO5S/c1-4-6-20-35-24-16-12-22(13-17-24)21(3)28(29(32)36-25-10-8-7-9-11-25)27(5-2)31-37(33,34)26-18-14-23(30)15-19-26/h7-19,21,27-28,31H,4-6,20H2,1-3H3