N-[4-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[4-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[3-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[3-[2,3-dihydro-1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-3-mesyl-2-methyl-propionamide Formula: C20H33N3O6S3 MolecularWeight: 507.68752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C1=CC2=C(C=C1)NCS2

Isomeric SMILES

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C1=CC2=C(C=C1)NCS2

InChI

InChI=1S/C20H33N3O6S3/c1-13(2)9-23(32(28,29)16-6-7-17-19(8-16)30-12-21-17)10-18(24)15(4)22-20(25)14(3)11-31(5,26)27/h6-8,13-15,18,21,24H,9-12H2,1-5H3,(H,22,25)