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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3-keto-4H-quinoxalin-2-yl)propionamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3NC2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NC3=CC=CC=C3NC2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-17-10-11-18(16-22(17)33(31,32)28-14-6-2-3-7-15-28)25-23(29)13-12-21-24(30)27-20-9-5-4-8-19(20)26-21/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,25,29)(H,27,30)