2-(1H-imidazol-5-yl)-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine

Systemtic Name: 2-(1H-imidazol-5-yl)-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine Openeye Name: 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethanamine CAS Name: 2-(1H-imidazol-5-yl)-2-[4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethanamine IUPAC Name: 2-(3-benzyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethanamine Traditional Name: [2-(3-benzyl-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-(1H-imidazol-5-yl)ethyl]amine Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2N(CC1CC3=CC=CC=C3)C(CN)C4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2N(CC1CC3=CC=CC=C3)C(CN)C4=CN=CN4

InChI

InChI=1S/C22H27N5O2S/c1-30(28,29)27-14-18-9-5-6-10-21(18)26(22(12-23)20-13-24-16-25-20)15-19(27)11-17-7-3-2-4-8-17/h2-10,13,16,19,22H,11-12,14-15,23H2,1H3,(H,24,25)