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

Systemtic Name: N-(2-azanyl-1-phenyl-butan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-sulfanyl-propanamide Openeye Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-sulfanyl-propanamide CAS Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-3-mercapto-2-methylpropanamide IUPAC Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzodioxol-5-ylsulfonyl)-2-methyl-3-sulfanylpropanamide Traditional Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzodioxol-5-ylsulfonyl)-3-mercapto-2-methyl-propionamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-3-21(22,12-16-7-5-4-6-8-16)23(20(24)15(2)13-29)30(25,26)17-9-10-18-19(11-17)28-14-27-18/h4-11,15,29H,3,12-14,22H2,1-2H3