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

Systemtic Name: 2-[butyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[butyl(5-isoquinolylsulfonyl)amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[butyl(5-isoquinolinylsulfonyl)amino]ethyl ester IUPAC Name: 2-[butyl(isoquinolin-5-ylsulfonyl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[butyl(5-isoquinolylsulfonyl)amino]ethyl ester Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c1-3-4-14-24(15-16-29-31(27,28)20-10-8-18(2)9-11-20)30(25,26)22-7-5-6-19-17-23-13-12-21(19)22/h5-13,17H,3-4,14-16H2,1-2H3