methyl 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-(4-aminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)N

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)N

InChI

InChI=1S/C23H22N2O4S/c1-29-23(26)22-14-18-4-2-3-5-19(18)15-25(22)30(27,28)21-12-8-17(9-13-21)16-6-10-20(24)11-7-16/h2-13,22H,14-15,24H2,1H3