[3-[[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]carbamoyl]-4-methyl-phenyl]-methoxy-oxidanylidene-azanium

Systemtic Name: [3-[[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]carbamoyl]-4-methyl-phenyl]-methoxy-oxidanylidene-azanium Openeye Name: [3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]carbamoyl]-4-methyl-phenyl]-methoxy-oxo-ammonium CAS Name: [3-[[[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]amino]-oxomethyl]-4-methylphenyl]-methoxy-oxoammonium IUPAC Name: [3-[[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]carbamoyl]-4-methylphenyl]-methoxy-oxoazanium Traditional Name: [3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]carbamoyl]-4-methyl-phenyl]-keto-methoxy-ammonium Formula: C34H38N3O5S+ MolecularWeight: 600.74762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)OC)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)OC)C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C34H37N3O5S/c1-22-14-16-26(37(41)42-5)20-29(22)32(39)35-30(21-43-27-17-15-23-10-6-7-11-24(23)18-27)31(38)19-25-12-8-9-13-28(25)33(40)36-34(2,3)4/h6-18,20,30-31,38H,19,21H2,1-5H3,(H-,35,36,39,40)/p+1