N-(1,3-benzodioxol-5-ylmethyl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl(8-quinolylsulfonyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[prop-2-enyl(8-quinolinylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl(8-quinolylsulfonyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H25N3O5S2 MolecularWeight: 535.6345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N3O5S2/c1-2-13-30(37(32,33)25-9-3-6-21-7-4-12-28-27(21)25)18-26(31)29(17-22-8-5-14-36-22)16-20-10-11-23-24(15-20)35-19-34-23/h2-12,14-15H,1,13,16-19H2