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

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

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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(CCC)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(CCC)NS(=O)(=O)CC3=CC=CC=C3)O)C#C

InChI

InChI=1S/C36H46N4O5S/c1-5-19-39(20-6-2)36(43)32-23-28(8-4)22-31(25-32)35(42)37-33(24-29-15-11-9-12-16-29)34(41)26-40(21-7-3)38-46(44,45)27-30-17-13-10-14-18-30/h4,9-18,22-23,25,33-34,38,41H,5-7,19-21,24,26-27H2,1-3H3,(H,37,42)