4-(azepan-1-ylsulfonyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-mesitylthiazol-2-yl)benzamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H29N3O3S2/c1-17-14-18(2)23(19(3)15-17)22-16-32-25(26-22)27-24(29)20-8-10-21(11-9-20)33(30,31)28-12-6-4-5-7-13-28/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,26,27,29)