2-[7-bromanyl-4-(2-dimethylaminoethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxidanylidene-ethanesulfonamide

Systemtic Name: 2-[7-bromanyl-4-(2-dimethylaminoethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxidanylidene-ethanesulfonamide Openeye Name: 2-[3-benzyl-7-bromo-4-(2-dimethylaminoethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxo-ethanesulfonamide CAS Name: 2-[7-bromo-4-(2-dimethylaminoethylsulfonyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxoethanesulfonamide IUPAC Name: 2-[3-benzyl-7-bromo-4-(2-dimethylaminoethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-oxoethanesulfonamide Traditional Name: 2-[3-benzyl-7-bromo-4-(2-dimethylaminoethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-2-keto-ethanesulfonamide Formula: C22H29BrN4O5S2 MolecularWeight: 573.52346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN4O5S2/c1-25(2)10-11-34(31,32)27-14-18-13-19(23)8-9-21(18)26(22(28)16-33(24,29)30)15-20(27)12-17-6-4-3-5-7-17/h3-9,13,20H,10-12,14-16H2,1-2H3,(H2,24,29,30)