(2S)-N-(2,5-dimethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-13-6-7-14(2)16(12-13)18-17(21)15(3)19-8-5-9-20(11-10-19)24(4,22)23/h6-7,12,15H,5,8-11H2,1-4H3,(H,18,21)/p+1/t15-/m0/s1