2-chloranyl-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide

Systemtic Name: 2-chloranyl-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide Openeye Name: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide CAS Name: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide IUPAC Name: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimido[1,6-a]indol-1-yl]benzenesulfonamide Traditional Name: 2-chloro-5-[5-(cyanomethyl)-3,4-dihydropyrimid[1,6-a]indol-1-yl]benzenesulfonamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N2C1=C(C3=CC=CC=C32)CC#N)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

Isomeric SMILES

C1CN=C(N2C1=C(C3=CC=CC=C32)CC#N)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C19H15ClN4O2S/c20-15-6-5-12(11-18(15)27(22,25)26)19-23-10-8-17-14(7-9-21)13-3-1-2-4-16(13)24(17)19/h1-6,11H,7-8,10H2,(H2,22,25,26)