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

Systemtic Name: N1-[4-[ethyl-[(phenylmethyl)sulfonylamino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[(benzylsulfonylamino)-ethyl-amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[ethyl-[(phenylmethyl)sulfonylamino]amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(benzylsulfonylamino)-ethylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[(benzylsulfonylamino)-ethyl-amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-isophthalamide Formula: C36H46N4O5S MolecularWeight: 646.83924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H46N4O5S/c1-5-15-30-22-31(25-32(23-30)36(43)39(20-6-2)21-7-3)35(42)37-33(24-28-16-11-9-12-17-28)34(41)26-40(8-4)38-46(44,45)27-29-18-13-10-14-19-29/h9-14,16-19,22-23,25,33-34,38,41H,6-8,20-21,24,26-27H2,1-4H3,(H,37,42)