2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-diethyl-N-oxidanyl-benzamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-diethyl-N-oxidanyl-benzamide Openeye Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3,5-diethyl-benzenecarbohydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-diethyl-N-hydroxybenzamide IUPAC Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonylamino]-3,5-diethyl-N-hydroxybenzamide Traditional Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3,5-diethyl-benzenecarbohydroxamic acid Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC)CC

InChI

InChI=1S/C28H30N2O5S/c1-4-7-17-35-24-13-15-25(16-14-24)36(33,34)30(20-22-11-9-8-10-12-22)27-23(6-3)18-21(5-2)19-26(27)28(31)29-32/h8-16,18-19,32H,5-6,17,20H2,1-3H3,(H,29,31)