N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[isobutyl(nosyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H27N3O7S2 MolecularWeight: 545.62778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O7S2/c1-18(2)13-27(37(32,33)22-8-6-20(7-9-22)28(30)31)16-25(29)26(15-21-4-3-11-36-21)14-19-5-10-23-24(12-19)35-17-34-23/h3-12,18H,13-17H2,1-2H3