N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide IUPAC Name: N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide Traditional Name: 2-(4-mesyl-1,4-diazepan-1-yl)-N-[(1S)-2-methyl-1-p-cumenyl-propyl]acetamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S/c1-16(2)18-7-9-19(10-8-18)21(17(3)4)22-20(25)15-23-11-6-12-24(14-13-23)28(5,26)27/h7-10,16-17,21H,6,11-15H2,1-5H3,(H,22,25)/t21-/m0/s1