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

Systemtic Name: N1-[3-oxidanyl-1-phenyl-4-[[(phenylmethyl)sulfonylamino]-propyl-amino]butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[(benzylsulfonylamino)-propyl-amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-1-phenyl-4-[[(phenylmethyl)sulfonylamino]-propylamino]butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(benzylsulfonylamino)-propylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[(benzylsulfonylamino)-propyl-amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-isophthalamide Formula: C37H48N4O5S MolecularWeight: 660.86582

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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#CC

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#CC

InChI

InChI=1S/C37H48N4O5S/c1-5-15-31-23-32(26-33(24-31)37(44)40(20-6-2)21-7-3)36(43)38-34(25-29-16-11-9-12-17-29)35(42)27-41(22-8-4)39-47(45,46)28-30-18-13-10-14-19-30/h9-14,16-19,23-24,26,34-35,39,42H,6-8,20-22,25,27-28H2,1-4H3,(H,38,43)