(2S)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(2-isopropylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide CAS Name: (2S)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)-N-o-cumenyl-propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O3S/c1-14(2)16-8-5-6-9-17(16)19-18(22)15(3)20-10-7-11-21(13-12-20)25(4,23)24/h5-6,8-9,14-15H,7,10-13H2,1-4H3,(H,19,22)/p+1/t15-/m0/s1