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

Systemtic Name: methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoate Openeye Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoate CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoate Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid methyl ester Formula: C26H23BrN2O6S MolecularWeight: 571.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCOC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CC#CCOC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H23BrN2O6S/c1-34-26(31)24(9-5-6-18-35-22-7-3-2-4-8-22)29-36(32,33)23-16-14-21(15-17-23)28-25(30)19-10-12-20(27)13-11-19/h2-4,7-8,10-17,24,29H,9,18H2,1H3,(H,28,30)