(4S)-5-[2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-[2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN3C(=C(C(=N3)C)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C22H29N5O4S/c1-15-13-20(28)23-18-9-5-6-10-19(18)27(15)21(29)14-26-17(3)22(16(2)24-26)32(30,31)25-11-7-4-8-12-25/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,23,28)/t15-/m0/s1