2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid Openeye Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid CAS Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxy-4-hexynoic acid IUPAC Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxyhex-4-ynoic acid Traditional Name: 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid Formula: C19H18BrNO5S MolecularWeight: 452.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H18BrNO5S/c1-26-13-3-2-4-18(19(22)23)21-27(24,25)17-11-7-15(8-12-17)14-5-9-16(20)10-6-14/h5-12,18,21H,4,13H2,1H3,(H,22,23)