1-[2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxidanylidene-ethyl]pyrrolidin-2-one Openeye Name: 1-[2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxo-ethyl]pyrrolidin-2-one CAS Name: 1-[2-[7-bromo-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxoethyl]-2-pyrrolidinone IUPAC Name: 1-[2-(3-benzyl-7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxoethyl]pyrrolidin-2-one Traditional Name: 1-[2-(3-benzyl-7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-keto-ethyl]-2-pyrrolidone Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CN4CCCC4=O

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)C(=O)CN4CCCC4=O

InChI

InChI=1S/C23H26BrN3O4S/c1-32(30,31)27-14-18-13-19(24)9-10-21(18)26(23(29)16-25-11-5-8-22(25)28)15-20(27)12-17-6-3-2-4-7-17/h2-4,6-7,9-10,13,20H,5,8,11-12,14-16H2,1H3