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

Systemtic Name: N1-[4-[(3-methylbutanoylamino)-propyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[(3-methylbutanoylamino)-propyl-amino]propyl]-N3,N3-dipropyl-5-sulfamoyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-4-[[(3-methyl-1-oxobutyl)amino]-propylamino]-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[3-hydroxy-4-[(3-methylbutanoylamino)-propylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-sulfamoylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[(isovalerylamino)-propyl-amino]propyl]-N',N'-dipropyl-5-sulfamoyl-isophthalamide Formula: C32H49N5O6S MolecularWeight: 631.82636

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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)NC(=O)CC(C)C)O)S(=O)(=O)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(CCC)NC(=O)CC(C)C)O)S(=O)(=O)N

InChI

InChI=1S/C32H49N5O6S/c1-6-14-36(15-7-2)32(41)26-19-25(20-27(21-26)44(33,42)43)31(40)34-28(18-24-12-10-9-11-13-24)29(38)22-37(16-8-3)35-30(39)17-23(4)5/h9-13,19-21,23,28-29,38H,6-8,14-18,22H2,1-5H3,(H,34,40)(H,35,39)(H2,33,42,43)