N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C19H31N3O3S/c1-15-7-8-17(13-16(15)2)26(24,25)22-10-6-9-21(11-12-22)14-18(23)20-19(3,4)5/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23)/p+1