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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-(4-methylphenyl)sulfonyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl(p-tolylsulfonyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[cyclopropyl(tosyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C25H26N2O5S2/c1-18-4-9-22(10-5-18)34(29,30)27(20-7-8-20)16-25(28)26(15-21-3-2-12-33-21)14-19-6-11-23-24(13-19)32-17-31-23/h2-6,9-13,20H,7-8,14-17H2,1H3