(2R)-2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: (2R)-2-azanyl-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: (2R)-2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: (2R)-2-amino-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: (2R)-2-amino-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: (2R)-2-amino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-13(18)17(22)20-8-3-9-21(11-10-20)25(23,24)16-5-2-4-14-12-19-7-6-15(14)16/h2,4-7,12-13H,3,8-11,18H2,1H3/t13-/m1/s1