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

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H38N5O5S+ MolecularWeight: 496.64332

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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)N3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H37N5O5S/c1-23(2,3)25-22(30)18-27-10-4-9-26(11-12-27)17-21(29)24-19-5-7-20(8-6-19)34(31,32)28-13-15-33-16-14-28/h5-8H,4,9-18H2,1-3H3,(H,24,29)(H,25,30)/p+1