(2S)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H33N3O3S/c1-4-25(19-22-9-6-5-7-10-22)24(28)21(3)26-15-8-16-27(18-17-26)31(29,30)23-13-11-20(2)12-14-23/h5-7,9-14,21H,4,8,15-19H2,1-3H3/p+1/t21-/m0/s1