tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(2-thiophen-2-ylethyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(2-thiophen-2-ylethyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-isoquinolylsulfonyl-[2-(2-thienyl)ethyl]amino]propyl]carbamate CAS Name: N-[3-[5-isoquinolinylsulfonyl(2-thiophen-2-ylethyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl(2-thiophen-2-ylethyl)amino]propyl]carbamate Traditional Name: N-[3-[5-isoquinolylsulfonyl-[2-(2-thienyl)ethyl]amino]propyl]carbamic acid tert-butyl ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCC1=CC=CS1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCC1=CC=CS1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H29N3O4S2/c1-23(2,3)30-22(27)25-12-6-14-26(15-11-19-8-5-16-31-19)32(28,29)21-9-4-7-18-17-24-13-10-20(18)21/h4-5,7-10,13,16-17H,6,11-12,14-15H2,1-3H3,(H,25,27)