4-(azepan-1-ylsulfonyl)-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(4-methylphenyl)-5-phenyl-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S2/c1-21-11-13-22(14-12-21)26-27(23-9-5-4-6-10-23)36-29(30-26)31-28(33)24-15-17-25(18-16-24)37(34,35)32-19-7-2-3-8-20-32/h4-6,9-18H,2-3,7-8,19-20H2,1H3,(H,30,31,33)