N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-4-phenyl-butyl]-3-(dimethylsulfamoyl)-2-methyl-propanamide

Systemtic Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-4-phenyl-butyl]-3-(dimethylsulfamoyl)-2-methyl-propanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-4-phenyl-butyl]-3-(dimethylsulfamoyl)-2-methyl-propanamide CAS Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-4-phenylbutyl]-3-(dimethylsulfamoyl)-2-methylpropanamide IUPAC Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-4-phenylbutyl]-3-(dimethylsulfamoyl)-2-methylpropanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-4-phenyl-butyl]-3-(dimethylsulfamoyl)-2-methyl-propionamide Formula: C27H39N3O8S2 MolecularWeight: 597.74386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CC1=CC=CC=C1)C(CNC(=O)C(C)CS(=O)(=O)N(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(C(CC1=CC=CC=C1)C(CNC(=O)C(C)CS(=O)(=O)N(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C27H39N3O8S2/c1-19(2)16-30(40(35,36)22-11-12-25-26(14-22)38-18-37-25)23(13-21-9-7-6-8-10-21)24(31)15-28-27(32)20(3)17-39(33,34)29(4)5/h6-12,14,19-20,23-24,31H,13,15-18H2,1-5H3,(H,28,32)