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

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-6-11-18-19(14-15)28-21(23(18)2)22-20(25)16-7-9-17(10-8-16)29(26,27)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13H2,1-2H3