7-chloranyl-3-methyl-1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-methyl-1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-methyl-1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-methyl-1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-methyl-1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(methylsulfonylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(mesylmethyl)-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 1-(mesylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C35H33ClN4O6S2 MolecularWeight: 705.24272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CS(=O)(=O)C.CS(=O)(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CS(=O)(=O)C.CS(=O)(=O)CN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN2O3S.C17H16N2O3S/c1-12-18(22)21(11-25(2,23)24)16-9-8-14(19)10-15(16)17(20-12)13-6-4-3-5-7-13;1-23(21,22)12-19-15-10-6-5-9-14(15)17(18-11-16(19)20)13-7-3-2-4-8-13/h3-10,12H,11H2,1-2H3;2-10H,11-12H2,1H3