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

Systemtic Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(dimethylsulfamoyl)-2-methyl-propanamide Openeye Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-(dimethylsulfamoyl)-2-methyl-propanamide CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(dimethylsulfamoyl)-2-methylpropanamide IUPAC Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(dimethylsulfamoyl)-2-methylpropanamide Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-(dimethylsulfamoyl)-2-methyl-propionamide Formula: C27H38N4O6S3 MolecularWeight: 610.80882

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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)N(C)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)N(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C27H38N4O6S3/c1-19(2)15-31(40(36,37)22-11-12-23-26(14-22)38-18-28-23)16-25(32)24(13-21-9-7-6-8-10-21)29-27(33)20(3)17-39(34,35)30(4)5/h6-12,14,18-20,24-25,32H,13,15-17H2,1-5H3,(H,29,33)