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

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[3-(2-methylsulfonylphenyl)propyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-isoquinolylsulfonyl-[3-(2-methylsulfonylphenyl)propyl]amino]propyl]carbamate CAS Name: N-[3-[5-isoquinolinylsulfonyl-[3-(2-methylsulfonylphenyl)propyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[3-(2-methylsulfonylphenyl)propyl]amino]propyl]carbamate Traditional Name: N-[3-[5-isoquinolylsulfonyl-[3-(2-mesylphenyl)propyl]amino]propyl]carbamic acid tert-butyl ester Formula: C27H35N3O6S2 MolecularWeight: 561.7133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCCC1=CC=CC=C1S(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCC1=CC=CC=C1S(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C27H35N3O6S2/c1-27(2,3)36-26(31)29-16-9-19-30(18-8-12-21-10-5-6-13-24(21)37(4,32)33)38(34,35)25-14-7-11-22-20-28-17-15-23(22)25/h5-7,10-11,13-15,17,20H,8-9,12,16,18-19H2,1-4H3,(H,29,31)