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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-(phenylsulfinylmethyl)cinnoline-3-carboxamide Openeye Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: 1-(benzenesulfinylmethyl)-N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: 1-(benzenesulfinylmethyl)-N-(4-chlorobenzyl)-4-keto-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C28H27ClN4O4S MolecularWeight: 551.05638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27ClN4O4S/c29-22-9-6-20(7-10-22)17-30-28(35)26-27(34)24-16-21(18-32-12-14-37-15-13-32)8-11-25(24)33(31-26)19-38(36)23-4-2-1-3-5-23/h1-11,16H,12-15,17-19H2,(H,30,35)