N-tert-butyl-2-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-tert-butyl-2-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-2-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-2-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)22-20(25)16-23-11-6-12-24(14-13-23)28(26,27)19-10-9-17-7-4-5-8-18(17)15-19/h4-5,7-10,15H,6,11-14,16H2,1-3H3,(H,22,25)/p+1