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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-methylphenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl(p-tolylsulfonyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[3-methoxypropyl(tosyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H30N2O6S2 MolecularWeight: 530.6562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C26H30N2O6S2/c1-20-6-9-23(10-7-20)36(30,31)28(12-4-13-32-2)18-26(29)27(17-22-5-3-14-35-22)16-21-8-11-24-25(15-21)34-19-33-24/h3,5-11,14-15H,4,12-13,16-19H2,1-2H3