1-chloranyl-5-methyl-6,8-bis(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 1-chloranyl-5-methyl-6,8-bis(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,8-dibenzyl-1-chloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-5-methyl-6,8-bis(phenylmethyl)-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,8-dibenzyl-1-chloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,8-dibenzyl-1-chloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C30H29ClN4O2S MolecularWeight: 545.09486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)CC4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C30H29ClN4O2S/c1-20(2)38(36,37)26-18-25-17-23(14-21-10-6-4-7-11-21)16-24(15-22-12-8-5-9-13-22)28(25)35(3)30-27(34-26)29(31)32-19-33-30/h4-13,16-17,19-20H,14-15,18H2,1-3H3