methyl 4-[(Z)-3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-methyl-amino]-2-methyl-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(Z)-3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-methyl-amino]-2-methyl-prop-1-enyl]benzoate Openeye Name: methyl 4-[(Z)-3-[2-(5-isoquinolylsulfonylamino)ethyl-methyl-amino]-2-methyl-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[2-(5-isoquinolinylsulfonylamino)ethyl-methylamino]-2-methylprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-methylamino]-2-methylprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[2-(5-isoquinolylsulfonylamino)ethyl-methyl-amino]-2-methyl-prop-1-enyl]benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)CN(C)CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C/C(=C/C1=CC=C(C=C1)C(=O)OC)/CN(C)CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C24H27N3O4S/c1-18(15-19-7-9-20(10-8-19)24(28)31-3)17-27(2)14-13-26-32(29,30)23-6-4-5-21-16-25-12-11-22(21)23/h4-12,15-16,26H,13-14,17H2,1-3H3/b18-15-