N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-(4-tosyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-17-6-8-19(9-7-17)29(27,28)24-12-5-11-23(14-15-24)13-10-20(26)22-21(3,4)16-18(2)25/h6-9H,5,10-16H2,1-4H3,(H,22,26)/p+1