methyl 3-[[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H23ClN2O5S/c1-16-7-8-19(25(30)33-2)13-22(16)27-24(29)18-9-10-21(26)23(14-18)34(31,32)28-12-11-17-5-3-4-6-20(17)15-28/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,29)