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

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C24H40N5O4S+ MolecularWeight: 494.6705

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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)N3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H39N5O4S/c1-24(2,3)26-23(31)19-28-13-7-12-27(16-17-28)18-22(30)25-20-8-10-21(11-9-20)34(32,33)29-14-5-4-6-15-29/h8-11H,4-7,12-19H2,1-3H3,(H,25,30)(H,26,31)/p+1