5-ethynyl-N1-[1-(4-hydroxyphenyl)-4-[(2-methylpropylsulfonylamino)-propyl-amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-ethynyl-N1-[1-(4-hydroxyphenyl)-4-[(2-methylpropylsulfonylamino)-propyl-amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: 5-ethynyl-N1-[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-[(isobutylsulfonylamino)-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-1-(4-hydroxyphenyl)-4-[(2-methylpropylsulfonylamino)-propylamino]butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 5-ethynyl-1-N-[3-hydroxy-1-(4-hydroxyphenyl)-4-[(2-methylpropylsulfonylamino)-propylamino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: 5-ethynyl-N-[2-hydroxy-1-(4-hydroxybenzyl)-3-[(isobutylsulfonylamino)-propyl-amino]propyl]-N',N'-dipropyl-isophthalamide Formula: C33H48N4O6S MolecularWeight: 628.82242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(CN(CCC)NS(=O)(=O)CC(C)C)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(CN(CCC)NS(=O)(=O)CC(C)C)O)C#C

InChI

InChI=1S/C33H48N4O6S/c1-7-15-36(16-8-2)33(41)28-19-25(10-4)18-27(21-28)32(40)34-30(20-26-11-13-29(38)14-12-26)31(39)22-37(17-9-3)35-44(42,43)23-24(5)6/h4,11-14,18-19,21,24,30-31,35,38-39H,7-9,15-17,20,22-23H2,1-3,5-6H3,(H,34,40)