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

Systemtic Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[3-(3-methylsulfonylphenyl)propyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-isoquinolylsulfonyl-[3-(3-methylsulfonylphenyl)propyl]amino]propyl]carbamate CAS Name: N-[3-[5-isoquinolinylsulfonyl-[3-(3-methylsulfonylphenyl)propyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[isoquinolin-5-ylsulfonyl-[3-(3-methylsulfonylphenyl)propyl]amino]propyl]carbamate Traditional Name: N-[3-[5-isoquinolylsulfonyl-[3-(3-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=C1)S(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCC1=CC(=CC=C1)S(=O)(=O)C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

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