7-bromanyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(4-pyrrolidinosulfonylbenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C24H22BrN3O4S2 MolecularWeight: 560.48318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=CS5)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=CS5)C=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O4S2/c25-17-7-10-20-19(14-17)23(21-4-3-13-33-21)28(15-22(29)26-20)24(30)16-5-8-18(9-6-16)34(31,32)27-11-1-2-12-27/h3-10,13-14,23H,1-2,11-12,15H2,(H,26,29)