N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-mesyl-1,4-diazepan-1-yl)acetamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CN2CCCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C18H29N3O3S/c1-14-6-7-17(12-15(14)2)16(3)19-18(22)13-20-8-5-9-21(11-10-20)25(4,23)24/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,19,22)/t16-/m0/s1