[1-(3-aminophenyl)-3-methyl-6-methylsulfonyloxy-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] methanesulfonate

Systemtic Name: [1-(3-aminophenyl)-3-methyl-6-methylsulfonyloxy-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] methanesulfonate Openeye Name: [1-(3-aminophenyl)-4,7-dibenzyl-3-methyl-6-methylsulfonyloxy-2-oxo-1,3-diazepan-5-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(3-aminophenyl)-3-methyl-6-methylsulfonyloxy-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] ester IUPAC Name: [1-(3-aminophenyl)-4,7-dibenzyl-3-methyl-6-methylsulfonyloxy-2-oxo-1,3-diazepan-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(3-aminophenyl)-4,7-dibenzyl-2-keto-3-methyl-6-methylsulfonyloxy-1,3-diazepan-5-yl] ester Formula: C28H33N3O7S2 MolecularWeight: 587.70752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C(C(N(C1=O)C2=CC(=CC=C2)N)CC3=CC=CC=C3)OS(=O)(=O)C)OS(=O)(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CN1C(C(C(C(N(C1=O)C2=CC(=CC=C2)N)CC3=CC=CC=C3)OS(=O)(=O)C)OS(=O)(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O7S2/c1-30-24(17-20-11-6-4-7-12-20)26(37-39(2,33)34)27(38-40(3,35)36)25(18-21-13-8-5-9-14-21)31(28(30)32)23-16-10-15-22(29)19-23/h4-16,19,24-27H,17-18,29H2,1-3H3