2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[1-(phenylmethyl)-2-imidazolyl]thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CSC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3S2/c30-24(19-33-25-26-12-16-27(25)18-20-7-2-1-3-8-20)29-15-6-9-21-17-22(10-11-23(21)29)34(31,32)28-13-4-5-14-28/h1-3,7-8,10-12,16-17H,4-6,9,13-15,18-19H2