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

Systemtic Name: methyl 2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoate Openeye Name: methyl 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoate CAS Name: 2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoate Traditional Name: 2-[[4-(p-anisoylamino)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid methyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H26N2O7S/c1-34-22-15-11-20(12-16-22)26(30)28-21-13-17-24(18-14-21)37(32,33)29-25(27(31)35-2)10-6-7-19-36-23-8-4-3-5-9-23/h3-5,8-9,11-18,25,29H,10,19H2,1-2H3,(H,28,30)