2-methoxy-N-[4-methylsulfanyl-1-[[3-(methylsulfonylamino)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-[[3-(methylsulfonylamino)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[[3-(methanesulfonamido)phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[[3-(methanesulfonamido)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[[3-(methanesulfonamido)benzyl]carbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O5S2/c1-29-19-10-5-4-9-17(19)20(25)23-18(11-12-30-2)21(26)22-14-15-7-6-8-16(13-15)24-31(3,27)28/h4-10,13,18,24H,11-12,14H2,1-3H3,(H,22,26)(H,23,25)