methyl N-[5-[[2-(2-hexyldecylcarbamoyl)naphthalen-1-yl]sulfonylamino]-3-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl]methanimidate

Systemtic Name: methyl N-[5-[[2-(2-hexyldecylcarbamoyl)naphthalen-1-yl]sulfonylamino]-3-morpholin-4-ylsulfonyl-2-oxidanyl-phenyl]methanimidate Openeye Name: methyl N-[5-[[2-(2-hexyldecylcarbamoyl)-1-naphthyl]sulfonylamino]-2-hydroxy-3-morpholinosulfonyl-phenyl]methanimidate CAS Name: N-[5-[[2-[(2-hexyldecylamino)-oxomethyl]-1-naphthalenyl]sulfonylamino]-2-hydroxy-3-(4-morpholinylsulfonyl)phenyl]methanimidic acid methyl ester IUPAC Name: methyl N-[5-[[2-(2-hexyldecylcarbamoyl)naphthalen-1-yl]sulfonylamino]-2-hydroxy-3-morpholin-4-ylsulfonylphenyl]methanimidate Traditional Name: N-[5-[[2-(2-hexyldecylcarbamoyl)-1-naphthyl]sulfonylamino]-2-hydroxy-3-morpholinosulfonyl-phenyl]formimidic acid methyl ester Formula: C39H56N4O8S2 MolecularWeight: 773.01394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)CNC(=O)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)NC3=CC(=C(C(=C3)N=COC)O)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCCCCCCC(CCCCCC)CNC(=O)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)NC3=CC(=C(C(=C3)N=COC)O)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C39H56N4O8S2/c1-4-6-8-10-11-13-17-30(16-12-9-7-5-2)28-40-39(45)34-21-20-31-18-14-15-19-33(31)38(34)52(46,47)42-32-26-35(41-29-50-3)37(44)36(27-32)53(48,49)43-22-24-51-25-23-43/h14-15,18-21,26-27,29-30,42,44H,4-13,16-17,22-25,28H2,1-3H3,(H,40,45)