N-(2-azanyl-1-phenyl-butan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-(2-azanyl-1-phenyl-butan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzodioxol-5-ylsulfonyl)-3-mesyl-2-methyl-propionamide Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S2/c1-4-22(23,13-17-8-6-5-7-9-17)24(21(25)16(2)14-32(3,26)27)33(28,29)18-10-11-19-20(12-18)31-15-30-19/h5-12,16H,4,13-15,23H2,1-3H3