N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(isopropylsulfonylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isopropylsulfonylamino)amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C31H49N5O7S2 MolecularWeight: 667.88006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49N5O7S2/c1-6-9-17-36(34-45(42,43)23(4)5)22-29(37)28(18-24-13-11-10-12-14-24)33-30(38)25-19-26(21-27(20-25)44(32,40)41)31(39)35(15-7-2)16-8-3/h10-14,19-21,23,28-29,34,37H,6-9,15-18,22H2,1-5H3,(H,33,38)(H2,32,40,41)