5-ethynyl-N1-[4-[methyl-[(phenylmethyl)sulfonylamino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-ethynyl-N1-[4-[methyl-[(phenylmethyl)sulfonylamino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[(benzylsulfonylamino)-methyl-amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: 5-ethynyl-N1-[3-hydroxy-4-[methyl-[(phenylmethyl)sulfonylamino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(benzylsulfonylamino)-methylamino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[(benzylsulfonylamino)-methyl-amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C34H42N4O5S MolecularWeight: 618.78608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)NS(=O)(=O)CC3=CC=CC=C3)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)NS(=O)(=O)CC3=CC=CC=C3)O)C#C

InChI

InChI=1S/C34H42N4O5S/c1-5-18-38(19-6-2)34(41)30-21-26(7-3)20-29(23-30)33(40)35-31(22-27-14-10-8-11-15-27)32(39)24-37(4)36-44(42,43)25-28-16-12-9-13-17-28/h3,8-17,20-21,23,31-32,36,39H,5-6,18-19,22,24-25H2,1-2,4H3,(H,35,40)