2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-[2-(naphthalen-2-ylsulfonylamino)ethyl]carbamate

Systemtic Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-[2-(naphthalen-2-ylsulfonylamino)ethyl]carbamate Openeye Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-[2-(2-naphthylsulfonylamino)ethyl]carbamate CAS Name: N-[2-(2-naphthalenylsulfonylamino)ethyl]carbamic acid 2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-[2-(naphthalen-2-ylsulfonylamino)ethyl]carbamate Traditional Name: N-[2-(2-naphthylsulfonylamino)ethyl]carbamic acid 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester Formula: C30H33N4O5S+ MolecularWeight: 561.67182

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C30H32N4O5S/c1-2-19-34-20-8-11-24(28(34)29(35)33-26-12-4-3-5-13-26)16-21-39-30(36)31-17-18-32-40(37,38)27-15-14-23-9-6-7-10-25(23)22-27/h3-15,20,22,32H,2,16-19,21H2,1H3,(H-,31,33,35,36)/p+1