N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(phenylsulfinylmethyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(phenylsulfinylmethyl)quinoline-3-carboxamide Openeye Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-(benzenesulfinylmethyl)-N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C29H28ClN3O4S MolecularWeight: 550.06832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CS(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CS(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O4S/c30-23-9-6-21(7-10-23)17-31-29(35)26-19-33(20-38(36)24-4-2-1-3-5-24)27-11-8-22(16-25(27)28(26)34)18-32-12-14-37-15-13-32/h1-11,16,19H,12-15,17-18,20H2,(H,31,35)