N-[2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-morpholin-4-ylsulfonyl-N-phenethyl-benzamide

Systemtic Name: N-[2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-morpholin-4-ylsulfonyl-N-phenethyl-benzamide Openeye Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-(p-tolyl)ethyl]-4-morpholinosulfonyl-N-phenethyl-benzamide CAS Name: N-[2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl]-4-(4-morpholinylsulfonyl)-N-phenethylbenzamide IUPAC Name: N-[2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)-2-oxoethyl]-4-morpholin-4-ylsulfonyl-N-phenethylbenzamide Traditional Name: N-[2-keto-2-(p-anisylamino)-1-(p-tolyl)ethyl]-4-morpholinosulfonyl-N-phenethyl-benzamide Formula: C36H39N3O6S MolecularWeight: 641.77636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)OC)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)OC)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C36H39N3O6S/c1-27-8-12-30(13-9-27)34(35(40)37-26-29-10-16-32(44-2)17-11-29)39(21-20-28-6-4-3-5-7-28)36(41)31-14-18-33(19-15-31)46(42,43)38-22-24-45-25-23-38/h3-19,34H,20-26H2,1-2H3,(H,37,40)