phenyl 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butanoate

Systemtic Name: phenyl 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butanoate Openeye Name: phenyl 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butanoic acid phenyl ester IUPAC Name: phenyl 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-2-[(4-hexylcyclohexyl)methyl]butyric acid phenyl ester Formula: C29H40ClNO4S MolecularWeight: 534.1502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)CC(CC)(C(=O)OC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCC1CCC(CC1)CC(CC)(C(=O)OC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C29H40ClNO4S/c1-3-5-6-8-11-23-14-16-24(17-15-23)22-29(4-2,28(32)35-26-12-9-7-10-13-26)31-36(33,34)27-20-18-25(30)19-21-27/h7,9-10,12-13,18-21,23-24,31H,3-6,8,11,14-17,22H2,1-2H3