N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-4-tert-butylbenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-4-tert-butyl-benzamide Formula: C24H25NO5S2 MolecularWeight: 471.589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H25NO5S2/c1-24(2,3)18-9-6-16(7-10-18)23(26)25-14-21(32(27,28)22-5-4-12-31-22)17-8-11-19-20(13-17)30-15-29-19/h4-13,21H,14-15H2,1-3H3,(H,25,26)