[2-[isoquinolin-5-ylsulfonyl(propyl)amino]-3-methyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[isoquinolin-5-ylsulfonyl(propyl)amino]-3-methyl-butyl] 4-methylbenzenesulfonate Openeye Name: [2-[5-isoquinolylsulfonyl(propyl)amino]-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[5-isoquinolinylsulfonyl(propyl)amino]-3-methylbutyl] ester IUPAC Name: [2-[isoquinolin-5-ylsulfonyl(propyl)amino]-3-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[5-isoquinolylsulfonyl(propyl)amino]-3-methyl-butyl] ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(COS(=O)(=O)C1=CC=C(C=C1)C)C(C)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(C(COS(=O)(=O)C1=CC=C(C=C1)C)C(C)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C24H30N2O5S2/c1-5-15-26(32(27,28)24-8-6-7-20-16-25-14-13-22(20)24)23(18(2)3)17-31-33(29,30)21-11-9-19(4)10-12-21/h6-14,16,18,23H,5,15,17H2,1-4H3