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

Systemtic Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-2-methyl-propionamide Formula: C26H35N3O6S3 MolecularWeight: 581.7676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C26H35N3O6S3/c1-18(2)14-29(38(34,35)21-10-11-22-25(13-21)36-17-27-22)15-24(30)23(12-20-8-6-5-7-9-20)28-26(31)19(3)16-37(4,32)33/h5-11,13,17-19,23-24,30H,12,14-16H2,1-4H3,(H,28,31)