N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O5S2/c1-15-21(12-16-7-8-19-20(11-16)31-14-30-19)32-23(24-15)25-22(27)17-5-4-6-18(13-17)33(28,29)26-9-2-3-10-26/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H,24,25,27)