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

Systemtic Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoate Openeye Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-6-phenoxy-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[(4-acetamidophenyl)sulfonylamino]-6-phenoxyhex-4-ynoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-6-phenoxy-hex-4-ynoic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCOC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCOC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-16(24)22-17-11-13-19(14-12-17)30(26,27)23-20(21(25)28-2)10-6-7-15-29-18-8-4-3-5-9-18/h3-5,8-9,11-14,20,23H,10,15H2,1-2H3,(H,22,24)