2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorophenyl)methylamino]hexanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorophenyl)methylamino]hexanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorophenyl)methylamino]hexanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorophenyl)methylamino]hexanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorophenyl)methylamino]hexanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[(2-chlorobenzyl)amino]hexanoic acid Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNCC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNCC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C23H27ClN2O5S/c1-2-3-16-31-19-11-13-20(14-12-19)32(29,30)26-22(23(27)28)10-6-7-15-25-17-18-8-4-5-9-21(18)24/h4-5,8-9,11-14,22,25-26H,6-7,10,15-17H2,1H3,(H,27,28)