5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-2-propan-2-yl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-isopropyl-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-2-propan-2-yl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-2-propan-2-ylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-isopropyl-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynoic acid Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CC1=CC=C(C=C1)Cl)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(CC#CC1=CC=C(C=C1)Cl)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H22ClNO5S/c1-15(2)21(20(24)25,14-4-5-16-6-8-17(22)9-7-16)23-29(26,27)19-12-10-18(28-3)11-13-19/h6-13,15,23H,14H2,1-3H3,(H,24,25)