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

Systemtic Name: 7-methoxy-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Openeye Name: 7-methoxy-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile CAS Name: 7-methoxy-8-[3-methyl-4-(1-pyrrolyl)phenyl]sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile IUPAC Name: 7-methoxy-8-(3-methyl-4-pyrrol-1-ylphenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Traditional Name: 7-methoxy-8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2=C(C=CC3=C2C(NC=C3)C#N)OC)N4C=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C2=C(C=CC3=C2C(NC=C3)C#N)OC)N4C=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-15-13-17(6-7-19(15)25-11-3-4-12-25)29(26,27)22-20(28-2)8-5-16-9-10-24-18(14-23)21(16)22/h3-13,18,24H,1-2H3