N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3OC2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O5S/c1-18-12-13-19(17-22(18)33(30,31)26-14-6-2-3-7-15-26)25-23(28)11-8-16-27-20-9-4-5-10-21(20)32-24(27)29/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,25,28)