N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C26H28N4O4S2 MolecularWeight: 524.65492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C)C

InChI

InChI=1S/C26H28N4O4S2/c1-5-12-30-23-11-8-21(27-19(4)31)14-24(23)35-26(30)28-25(32)20-6-9-22(10-7-20)36(33,34)29-15-17(2)13-18(3)16-29/h1,6-11,14,17-18H,12-13,15-16H2,2-4H3,(H,27,31)