1-(3-chloranylpropylsulfonyl)-7-phenyl-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

Systemtic Name: 1-(3-chloranylpropylsulfonyl)-7-phenyl-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(3-chloropropylsulfonyl)-7-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine CAS Name: 1-(3-chloropropylsulfonyl)-7-phenyl-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(3-chloropropylsulfonyl)-7-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(3-chloropropylsulfonyl)-7-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C(N1S(=O)(=O)CCCCl)C=CC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(NCC2=C(N1S(=O)(=O)CCCCl)C=CC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2O2S/c26-14-7-15-31(29,30)28-19-24(16-20-8-3-1-4-9-20)27-18-23-17-22(12-13-25(23)28)21-10-5-2-6-11-21/h1-6,8-13,17,24,27H,7,14-16,18-19H2