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

Systemtic Name: N1-[4-[methyl-[(phenylmethyl)sulfonylamino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[(benzylsulfonylamino)-methyl-amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-4-[methyl-[(phenylmethyl)sulfonylamino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(benzylsulfonylamino)-methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[(benzylsulfonylamino)-methyl-amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C32H43N5O7S2 MolecularWeight: 673.84312

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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)S(=O)(=O)N

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)S(=O)(=O)N

InChI

InChI=1S/C32H43N5O7S2/c1-4-16-37(17-5-2)32(40)27-19-26(20-28(21-27)46(33,43)44)31(39)34-29(18-24-12-8-6-9-13-24)30(38)22-36(3)35-45(41,42)23-25-14-10-7-11-15-25/h6-15,19-21,29-30,35,38H,4-5,16-18,22-23H2,1-3H3,(H,34,39)(H2,33,43,44)