N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(isobutylsulfonylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-3-[butyl-(isobutylsulfonylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C33H51N5O6S MolecularWeight: 645.85294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)NS(=O)(=O)CC(C)C

Isomeric SMILES

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C(=O)N)C(=O)N(CCC)CCC)O)NS(=O)(=O)CC(C)C

InChI

InChI=1S/C33H51N5O6S/c1-6-9-17-38(36-45(43,44)23-24(4)5)22-30(39)29(18-25-13-11-10-12-14-25)35-32(41)27-19-26(31(34)40)20-28(21-27)33(42)37(15-7-2)16-8-3/h10-14,19-21,24,29-30,36,39H,6-9,15-18,22-23H2,1-5H3,(H2,34,40)(H,35,41)