2-[[(2S)-2-methylbutyl]-methylsulfonyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[(2S)-2-methylbutyl]-methylsulfonyl-amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[(2S)-2-methylbutyl]-methylsulfonyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(2S)-2-methylbutyl]-methylsulfonylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[(2S)-2-methylbutyl]-methylsulfonylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-benzyl-2-[mesyl-[(2S)-2-methylbutyl]amino]-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)CN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)S(=O)(=O)C

InChI

InChI=1S/C21H30N2O3S2/c1-5-17(2)13-23(28(4,25)26)16-21(24)22(14-19-9-7-6-8-10-19)15-20-12-11-18(3)27-20/h6-12,17H,5,13-16H2,1-4H3/t17-/m0/s1