N-[1-[(2-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[1-[(2-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[1-[(2-methoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[1-[(2-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[1-[(2-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(methylthio)-1-(o-anisylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H31N3O6S2/c1-32-22-9-4-3-6-19(22)17-25-24(29)21(10-15-34-2)26-23(28)18-7-5-8-20(16-18)35(30,31)27-11-13-33-14-12-27/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,29)(H,26,28)