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

Systemtic Name: 8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Openeye Name: 8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile CAS Name: 8-[3-methyl-4-(1-pyrrolyl)phenyl]sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile IUPAC Name: 8-(3-methyl-4-pyrrol-1-ylphenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Traditional Name: 8-(3-methyl-4-pyrrol-1-yl-phenyl)sulfonyl-1,2-dihydroisoquinoline-1-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-15-13-17(7-8-19(15)24-11-2-3-12-24)27(25,26)20-6-4-5-16-9-10-23-18(14-22)21(16)20/h2-13,18,23H,1H3