methyl 4-[[(3S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C26H26N2O6S/c1-3-34-22-12-14-23(15-13-22)35(31,32)28-17-20-7-5-4-6-19(20)16-24(28)25(29)27-21-10-8-18(9-11-21)26(30)33-2/h4-15,24H,3,16-17H2,1-2H3,(H,27,29)/t24-/m0/s1