3-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Traditional Name: phenyl-[3-piperonyl-4-(4-pyrrolidinosulfonylphenyl)-4-thiazolin-2-ylidene]amine Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O4S2/c31-36(32,29-14-4-5-15-29)23-11-9-21(10-12-23)24-18-35-27(28-22-6-2-1-3-7-22)30(24)17-20-8-13-25-26(16-20)34-19-33-25/h1-3,6-13,16,18H,4-5,14-15,17,19H2