methyl 1-cyano-2-[(4-methylphenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: methyl 1-cyano-2-[(4-methylphenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: methyl 1-cyano-2-(p-tolylsulfonylamino)pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 1-cyano-2-[(4-methylphenyl)sulfonylamino]-3-pyrrolo[2,1-a]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-2-[(4-methylphenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 1-cyano-2-(tosylamino)pyrrol[2,1-a]isoquinoline-3-carboxylic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N3C=CC4=CC=CC=C4C3=C2C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N3C=CC4=CC=CC=C4C3=C2C#N)C(=O)OC

InChI

InChI=1S/C22H17N3O4S/c1-14-7-9-16(10-8-14)30(27,28)24-19-18(13-23)20-17-6-4-3-5-15(17)11-12-25(20)21(19)22(26)29-2/h3-12,24H,1-2H3