7-chloranyl-1-(3-ethylsulfonylpropyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(3-ethylsulfonylpropyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(3-ethylsulfonylpropyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(3-ethylsulfonylpropyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(3-ethylsulfonylpropyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(3-esylpropyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C21H23ClN2O3S/c1-3-28(26,27)12-6-11-24-19-10-9-16(22)13-18(19)21(23-14-20(24)25)17-8-5-4-7-15(17)2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3