N-tert-butyl-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(2-naphthylsulfonylamino)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[3-(2-naphthylsulfonylamino)propanoyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C24H35N4O4S+ MolecularWeight: 475.6241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C24H34N4O4S/c1-24(2,3)26-22(29)18-27-13-6-14-28(16-15-27)23(30)11-12-25-33(31,32)21-10-9-19-7-4-5-8-20(19)17-21/h4-5,7-10,17,25H,6,11-16,18H2,1-3H3,(H,26,29)/p+1