methyl 4-[4-[[1-[(4-bromophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[[1-[(4-bromophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[[1-[(4-bromophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate CAS Name: 4-[4-[[1-[(4-bromophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[1-[(4-bromophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate Traditional Name: 4-[4-[[1-(brosylamino)cyclopentyl]methyl]phenyl]butyric acid methyl ester Formula: C23H28BrNO4S MolecularWeight: 494.44172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)CC2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)CC2(CCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H28BrNO4S/c1-29-22(26)6-4-5-18-7-9-19(10-8-18)17-23(15-2-3-16-23)25-30(27,28)21-13-11-20(24)12-14-21/h7-14,25H,2-6,15-17H2,1H3