N-[1-[(3-cyclohexyloxy-4-methoxy-phenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[1-[(3-cyclohexyloxy-4-methoxy-phenyl)sulfonyl-(phenylmethyl)amino]-2-oxidanyl-propyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-[benzyl-[3-(cyclohexoxy)-4-methoxy-phenyl]sulfonyl-amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[1-[(3-cyclohexyloxy-4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-2-hydroxypropyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[1-[benzyl-(3-cyclohexyloxy-4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-[benzyl-[3-(cyclohexoxy)-4-methoxy-phenyl]sulfonyl-amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C37H43N5O8S MolecularWeight: 717.83102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC5CCCCC5)O

Isomeric SMILES

CC(C(NC(=O)C(CC(=O)N)NC(=O)C1=NC2=CC=CC=C2C=C1)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC5CCCCC5)O

InChI

InChI=1S/C37H43N5O8S/c1-24(43)35(41-37(46)31(22-34(38)44)40-36(45)30-19-17-26-13-9-10-16-29(26)39-30)42(23-25-11-5-3-6-12-25)51(47,48)28-18-20-32(49-2)33(21-28)50-27-14-7-4-8-15-27/h3,5-6,9-13,16-21,24,27,31,35,43H,4,7-8,14-15,22-23H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)