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

Systemtic Name: [3-[[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]carbamoyl]phenyl]-methoxy-oxidanylidene-azanium Openeye Name: [3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]carbamoyl]phenyl]-methoxy-oxo-ammonium CAS Name: [3-[[[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]amino]-oxomethyl]phenyl]-methoxy-oxoammonium IUPAC Name: [3-[[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]carbamoyl]phenyl]-methoxy-oxoazanium Traditional Name: [3-[[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]carbamoyl]phenyl]-keto-methoxy-ammonium Formula: C33H36N3O5S+ MolecularWeight: 586.72104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC=C4)[N+](=O)OC)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC(=CC=C4)[N+](=O)OC)O

InChI

InChI=1S/C33H35N3O5S/c1-33(2,3)35-32(39)28-15-8-7-12-24(28)20-30(37)29(21-42-27-17-16-22-10-5-6-11-23(22)19-27)34-31(38)25-13-9-14-26(18-25)36(40)41-4/h5-19,29-30,37H,20-21H2,1-4H3,(H-,34,35,38,39)/p+1