7-chloranyl-2-(4-methylphenyl)sulfonyl-8-pyrrol-1-yl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 7-chloranyl-2-(4-methylphenyl)sulfonyl-8-pyrrol-1-yl-1H-isoquinoline-1-carbonitrile Openeye Name: 7-chloro-2-(p-tolylsulfonyl)-8-pyrrol-1-yl-1H-isoquinoline-1-carbonitrile CAS Name: 7-chloro-2-(4-methylphenyl)sulfonyl-8-(1-pyrrolyl)-1H-isoquinoline-1-carbonitrile IUPAC Name: 7-chloro-2-(4-methylphenyl)sulfonyl-8-pyrrol-1-yl-1H-isoquinoline-1-carbonitrile Traditional Name: 7-chloro-8-pyrrol-1-yl-2-tosyl-1H-isoquinoline-1-carbonitrile Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2C#N)C(=C(C=C3)Cl)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C2C#N)C(=C(C=C3)Cl)N4C=CC=C4

InChI

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