N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-17-12-13-20(16-21(17)32(29,30)27-14-8-3-4-9-15-27)25-24(28)22-18(2)31-26-23(22)19-10-6-5-7-11-19/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)