diethyl 2-[(4-acetamidophenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate

Systemtic Name: diethyl 2-[(4-acetamidophenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate Openeye Name: diethyl 2-[(4-acetamidophenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-acetamidophenyl)sulfonylamino]pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]pyrrol[2,1-a]isoquinoline-1,3-dicarboxylic acid diethyl ester Formula: C26H25N3O7S MolecularWeight: 523.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C26H25N3O7S/c1-4-35-25(31)21-22(28-37(33,34)19-12-10-18(11-13-19)27-16(3)30)24(26(32)36-5-2)29-15-14-17-8-6-7-9-20(17)23(21)29/h6-15,28H,4-5H2,1-3H3,(H,27,30)