[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H29N3O6S/c1-17-10-11-19(15-22(17)35(32,33)27-12-6-3-7-13-27)25(31)34-16-24(30)28-18(2)14-23(29)26-20-8-4-5-9-21(20)28/h4-5,8-11,15,18H,3,6-7,12-14,16H2,1-2H3,(H,26,29)/t18-/m0/s1