N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-benzylsulfonyl-butanamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-benzylsulfonylbutanamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-benzylsulfonyl-butyramide Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5S2/c24-20(7-4-10-30(25,26)13-15-5-2-1-3-6-15)23-21-22-17(12-29-21)16-8-9-18-19(11-16)28-14-27-18/h1-3,5-6,8-9,11-12H,4,7,10,13-14H2,(H,22,23,24)