7-chloranyl-1-[(3-methylimidazolidin-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-5H-1,4-benzodiazepine

Systemtic Name: 7-chloranyl-1-[(3-methylimidazolidin-4-yl)methyl]-3-(phenylmethyl)-4-(phenylsulfonyl)-5H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-3-benzyl-7-chloro-1-[(3-methylimidazolidin-4-yl)methyl]-5H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-7-chloro-1-[(3-methyl-4-imidazolidinyl)methyl]-3-(phenylmethyl)-5H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-7-chloro-1-[(3-methylimidazolidin-4-yl)methyl]-5H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-besyl-7-chloro-1-[(3-methylimidazolidin-4-yl)methyl]-5H-1,4-benzodiazepine Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNCC1CN2C=C(N(CC3=C2C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CNCC1CN2C=C(N(CC3=C2C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4O2S/c1-30-20-29-16-25(30)19-31-18-24(14-21-8-4-2-5-9-21)32(17-22-15-23(28)12-13-27(22)31)35(33,34)26-10-6-3-7-11-26/h2-13,15,18,25,29H,14,16-17,19-20H2,1H3