(5R)-7-chloranyl-5-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: (5R)-7-chloranyl-5-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: (5R)-7-chloro-5-phenyl-4-[4-(1-piperidylsulfonyl)benzoyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: (5R)-7-chloro-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: (5R)-7-chloro-5-phenyl-4-(4-piperidin-1-ylsulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: (5R)-7-chloro-5-phenyl-4-(4-piperidinosulfonylbenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H26ClN3O4S MolecularWeight: 524.03104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=CC=C5)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C([C@H]3C5=CC=CC=C5)C=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3O4S/c28-21-11-14-24-23(17-21)26(19-7-3-1-4-8-19)31(18-25(32)29-24)27(33)20-9-12-22(13-10-20)36(34,35)30-15-5-2-6-16-30/h1,3-4,7-14,17,26H,2,5-6,15-16,18H2,(H,29,32)/t26-/m1/s1