N-[(2S)-6-methylheptan-2-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-3-methylsulfonyl-benzamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-3-methylsulfonylbenzamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-3-methylsulfonylbenzamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-3-mesyl-benzamide Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S/c1-12(2)7-5-8-13(3)17-16(18)14-9-6-10-15(11-14)21(4,19)20/h6,9-13H,5,7-8H2,1-4H3,(H,17,18)/t13-/m0/s1