(2R)-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-2-propyl-octan-1-one

Systemtic Name: (2R)-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-2-propyl-octan-1-one Openeye Name: (2R)-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]-2-propyl-octan-1-one CAS Name: (2R)-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]-2-propyl-1-octanone IUPAC Name: (2R)-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)-2-propyloctan-1-one Traditional Name: (2R)-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]-2-propyl-octan-1-one Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCC[C@@H](CCC)C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C25H37N3O3S/c1-3-5-6-7-11-21(10-4-2)25(29)27-16-9-17-28(19-18-27)32(30,31)24-13-8-12-22-20-26-15-14-23(22)24/h8,12-15,20-21H,3-7,9-11,16-19H2,1-2H3/t21-/m1/s1