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

Systemtic Name: N1-[4-[methyl-[(phenylmethyl)sulfonylamino]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[(benzylsulfonylamino)-methyl-amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[3-hydroxy-4-[methyl-[(phenylmethyl)sulfonylamino]amino]-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(benzylsulfonylamino)-methylamino]-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)-methyl-amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-isophthalamide Formula: C35H44N4O5S MolecularWeight: 632.81266

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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)C#CC

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)C#CC

InChI

InChI=1S/C35H44N4O5S/c1-5-14-29-21-30(24-31(22-29)35(42)39(19-6-2)20-7-3)34(41)36-32(23-27-15-10-8-11-16-27)33(40)25-38(4)37-45(43,44)26-28-17-12-9-13-18-28/h8-13,15-18,21-22,24,32-33,37,40H,6-7,19-20,23,25-26H2,1-4H3,(H,36,41)