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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(4-keto-1H-quinazolin-2-yl)butyramide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-18-13-14-19(17-22(18)34(32,33)29-15-6-2-3-7-16-29)26-24(30)12-8-11-23-27-21-10-5-4-9-20(21)25(31)28-23/h4-5,9-10,13-14,17H,2-3,6-8,11-12,15-16H2,1H3,(H,26,30)(H,27,28,31)