methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C(CC#C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H17BrN2O5S/c1-3-4-17(19(24)27-2)22-28(25,26)16-11-9-15(10-12-16)21-18(23)13-5-7-14(20)8-6-13/h1,5-12,17,22H,4H2,2H3,(H,21,23)