2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-propanamide

Systemtic Name: 2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-propanamide Openeye Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methylsulfonyl-propanamide CAS Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonylpropanamide IUPAC Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonylpropanamide Traditional Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-propionamide Formula: C25H35N3O8S2 MolecularWeight: 569.6907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O8S2/c1-17(2)13-28(38(33,34)19-9-10-23-24(12-19)36-16-35-23)14-22(29)21(11-18-7-5-4-6-8-18)27-25(30)20(26)15-37(3,31)32/h4-10,12,17,20-22,29H,11,13-16,26H2,1-3H3,(H,27,30)