4-methyl-5-[2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]amino]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 4-methyl-5-[2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]amino]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[3-(3-oxopiperazin-1-yl)sulfonylanilino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[1-oxo-2-[3-[(3-oxo-1-piperazinyl)sulfonyl]anilino]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[3-(3-oxopiperazin-1-yl)sulfonylanilino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[3-(3-ketopiperazino)sulfonylanilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H25N5O5S/c1-15-11-20(28)25-18-7-2-3-8-19(18)27(15)22(30)13-24-16-5-4-6-17(12-16)33(31,32)26-10-9-23-21(29)14-26/h2-8,12,15,24H,9-11,13-14H2,1H3,(H,23,29)(H,25,28)