2-[ethyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[ethyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[ethyl(5-isoquinolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[ethyl(5-isoquinolinylsulfonyl)amino]ethyl ester IUPAC Name: 2-[ethyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[ethyl(5-isoquinolylsulfonyl)amino]ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCN(CCOS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H22N2O5S2/c1-3-22(13-14-27-29(25,26)18-9-7-16(2)8-10-18)28(23,24)20-6-4-5-17-15-21-12-11-19(17)20/h4-12,15H,3,13-14H2,1-2H3