[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl] ester Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4)C(C)C

InChI

InChI=1S/C28H33N3O5S2/c1-4-30(20(2)3)23-13-11-22(12-14-23)29-26(32)19-36-27(33)18-25-24-9-6-5-8-21(24)15-16-31(25)38(34,35)28-10-7-17-37-28/h5-14,17,20,25H,4,15-16,18-19H2,1-3H3,(H,29,32)