2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(methylsulfonylamino)-N-phenylmethoxy-propanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(methylsulfonylamino)-N-phenylmethoxy-propanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-N-benzyloxy-3-(methanesulfonamido)propanamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(methanesulfonamido)-N-phenylmethoxypropanamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(methanesulfonamido)-N-phenylmethoxypropanamide Traditional Name: N-benzoxy-3-(methanesulfonamido)-2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]propionamide Formula: C28H33N3O9S2 MolecularWeight: 619.70632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNS(=O)(=O)C)C(=O)NOCC4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNS(=O)(=O)C)C(=O)NOCC4=CC=CC=C4)C)OC

InChI

InChI=1S/C28H33N3O9S2/c1-19-12-23(37-3)13-20(2)27(19)42(35,36)31(16-22-10-11-25-26(14-22)39-18-38-25)24(15-29-41(4,33)34)28(32)30-40-17-21-8-6-5-7-9-21/h5-14,24,29H,15-18H2,1-4H3,(H,30,32)