N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C21H22BrN3O3S2 MolecularWeight: 508.45168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22BrN3O3S2/c1-2-25-18-11-8-16(22)14-19(18)29-21(25)23-20(26)15-6-9-17(10-7-15)30(27,28)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3