methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoate

Systemtic Name: methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoate Openeye Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoate CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-methoxy-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxyhex-4-ynoate Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-methoxy-hex-4-ynoic acid methyl ester Formula: C21H21BrN2O6S MolecularWeight: 509.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O6S/c1-29-14-4-3-5-19(21(26)30-2)24-31(27,28)18-12-10-17(11-13-18)23-20(25)15-6-8-16(22)9-7-15/h6-13,19,24H,5,14H2,1-2H3,(H,23,25)