N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-keto-3-methyl-1,3-benzoxazole-6-sulfonamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N3O6S2/c1-15-7-8-16(13-20(15)32(28,29)24-11-5-3-4-6-12-24)22-31(26,27)17-9-10-18-19(14-17)30-21(25)23(18)2/h7-10,13-14,22H,3-6,11-12H2,1-2H3