N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-N-methyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C)CC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C)CC(=O)NC3CC3

InChI

InChI=1S/C20H30N4O4S/c1-16-4-8-18(9-5-16)29(27,28)24-11-3-10-23(12-13-24)15-20(26)22(2)14-19(25)21-17-6-7-17/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3,(H,21,25)/p+1