5-chloranyl-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile

Systemtic Name: 5-chloranyl-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Openeye Name: 5-chloro-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile CAS Name: 5-chloro-8-[3-methyl-4-(1-pyrrolyl)phenyl]sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile IUPAC Name: 5-chloro-8-(3-methyl-4-pyrrol-1-ylphenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Traditional Name: 5-chloro-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2=C3C(NC=CC3=C(C=C2)Cl)C#N)N4C=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C2=C3C(NC=CC3=C(C=C2)Cl)C#N)N4C=CC=C4

InChI

InChI=1S/C21H16ClN3O2S/c1-14-12-15(4-6-19(14)25-10-2-3-11-25)28(26,27)20-7-5-17(22)16-8-9-24-18(13-23)21(16)20/h2-12,18,24H,1H3