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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-5-propan-2-yl-4-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-isopropyl-3-methyl-isoxazole-4-carboxamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C)C(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C)C(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-14(2)20-19(16(4)23-28-20)21(25)22-17-10-9-15(3)18(13-17)29(26,27)24-11-7-5-6-8-12-24/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,25)