4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide Openeye Name: 4-[3-tert-butyl-5-(2-quinolylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonyl-benzamide CAS Name: 4-[3-tert-butyl-5-[[oxo-(2-quinolinylamino)methyl]amino]-1-pyrazolyl]-N-methylsulfonylbenzamide IUPAC Name: 4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide Traditional Name: 4-[3-tert-butyl-5-(2-quinolylcarbamoylamino)pyrazol-1-yl]-N-mesyl-benzamide Formula: C25H26N6O4S MolecularWeight: 506.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C25H26N6O4S/c1-25(2,3)20-15-22(28-24(33)27-21-14-11-16-7-5-6-8-19(16)26-21)31(29-20)18-12-9-17(10-13-18)23(32)30-36(4,34)35/h5-15H,1-4H3,(H,30,32)(H2,26,27,28,33)