N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H38N5O4S+ MolecularWeight: 480.64392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H37N5O4S/c1-23(2,3)25-22(30)18-27-12-6-11-26(15-16-27)17-21(29)24-19-7-9-20(10-8-19)33(31,32)28-13-4-5-14-28/h7-10H,4-6,11-18H2,1-3H3,(H,24,29)(H,25,30)/p+1