tert-butyl N-[3-(1-chloranylisoquinolin-5-yl)sulfonyl-3-(3-phenylpropylamino)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(1-chloranylisoquinolin-5-yl)sulfonyl-3-(3-phenylpropylamino)propyl]carbamate Openeye Name: tert-butyl N-[3-[(1-chloro-5-isoquinolyl)sulfonyl]-3-(3-phenylpropylamino)propyl]carbamate CAS Name: N-[3-[(1-chloro-5-isoquinolinyl)sulfonyl]-3-(3-phenylpropylamino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1-chloroisoquinolin-5-yl)sulfonyl-3-(3-phenylpropylamino)propyl]carbamate Traditional Name: N-[3-[(1-chloro-5-isoquinolyl)sulfonyl]-3-(3-phenylpropylamino)propyl]carbamic acid tert-butyl ester Formula: C26H32ClN3O4S MolecularWeight: 518.06798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(NCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(NCCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C26H32ClN3O4S/c1-26(2,3)34-25(31)30-18-15-23(28-16-8-11-19-9-5-4-6-10-19)35(32,33)22-13-7-12-21-20(22)14-17-29-24(21)27/h4-7,9-10,12-14,17,23,28H,8,11,15-16,18H2,1-3H3,(H,30,31)