[2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[ethyl(1-naphthyl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[ethyl(1-naphthalenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[ethyl(1-naphthyl)amino]-2-keto-ethyl] ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C30H28N2O5S/c1-2-32(28-16-8-12-23-10-5-6-15-27(23)28)29(33)21-37-30(34)24-13-7-14-26(19-24)38(35,36)31-18-17-22-9-3-4-11-25(22)20-31/h3-16,19H,2,17-18,20-21H2,1H3