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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[3-methoxypropyl(nosyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H27N3O8S2 MolecularWeight: 561.62718

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(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

COCCCN(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/C25H27N3O8S2/c1-34-12-3-11-27(38(32,33)22-8-6-20(7-9-22)28(30)31)17-25(29)26(16-21-4-2-13-37-21)15-19-5-10-23-24(14-19)36-18-35-23/h2,4-10,13-14H,3,11-12,15-18H2,1H3