N-[5-[(3-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(3-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[5-[(3-cyanophenyl)methyl]thiazol-2-yl]-4-isopropylsulfonyl-benzamide CAS Name: N-[5-[(3-cyanophenyl)methyl]-2-thiazolyl]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[5-[(3-cyanophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[5-(3-cyanobenzyl)thiazol-2-yl]-4-isopropylsulfonyl-benzamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19N3O3S2/c1-14(2)29(26,27)19-8-6-17(7-9-19)20(25)24-21-23-13-18(28-21)11-15-4-3-5-16(10-15)12-22/h3-10,13-14H,11H2,1-2H3,(H,23,24,25)