[4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamic acid

Systemtic Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-phenyl-3-phosphonooxy-butan-2-yl]carbamic acid Openeye Name: [3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-phosphonooxy-propyl]carbamic acid CAS Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid IUPAC Name: [4-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamic acid Traditional Name: [3-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-1-benzyl-2-phosphonooxy-propyl]carbamic acid Formula: C25H32N3O10PS MolecularWeight: 597.574441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)OP(=O)(O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)OP(=O)(O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H32N3O10PS/c1-25(2,11-6-12-26)16-28(40(34,35)19-9-10-21-22(14-19)37-17-36-21)15-23(38-39(31,32)33)20(27-24(29)30)13-18-7-4-3-5-8-18/h3-5,7-10,14,20,23,27H,6,11,13,15-17H2,1-2H3,(H,29,30)(H2,31,32,33)