N-[(1R)-2-methyl-1-phenyl-propyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-2-methyl-1-phenyl-propyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-2-methyl-1-phenyl-propyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-[(1R)-2-methyl-1-phenylpropyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-[(1R)-2-methyl-1-phenylpropyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-2-methyl-1-phenyl-propyl]-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N[C@@H](C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H33N3O3S/c1-19(2)24(21-8-5-4-6-9-21)25-23(28)18-26-14-7-15-27(17-16-26)31(29,30)22-12-10-20(3)11-13-22/h4-6,8-13,19,24H,7,14-18H2,1-3H3,(H,25,28)/p+1/t24-/m1/s1