methyl 2-[(4-aminophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoate

Systemtic Name: methyl 2-[(4-aminophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoate Openeye Name: methyl 2-[(4-aminophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoate CAS Name: 2-[(4-aminophenyl)sulfonylamino]-6-phenoxy-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[(4-aminophenyl)sulfonylamino]-6-phenoxyhex-4-ynoate Traditional Name: 6-phenoxy-2-(sulfanilylamino)hex-4-ynoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCOC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

COC(=O)C(CC#CCOC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C19H20N2O5S/c1-25-19(22)18(9-5-6-14-26-16-7-3-2-4-8-16)21-27(23,24)17-12-10-15(20)11-13-17/h2-4,7-8,10-13,18,21H,9,14,20H2,1H3