(4S)-4-methyl-5-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-15-12-19(26)23-17-6-2-3-7-18(17)25(15)21(27)14-30-20-9-8-16(13-22-20)31(28,29)24-10-4-5-11-24/h2-3,6-9,13,15H,4-5,10-12,14H2,1H3,(H,23,26)/t15-/m0/s1