N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-(4-tert-butylphenyl)sulfonyl-amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-(4-tert-butylphenyl)sulfonyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C28H32N2O5S2 MolecularWeight: 540.69408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5S2/c1-5-14-30(37(32,33)24-11-9-22(10-12-24)28(2,3)4)19-27(31)29(18-23-7-6-15-36-23)17-21-8-13-25-26(16-21)35-20-34-25/h5-13,15-16H,1,14,17-20H2,2-4H3