(2R)-2,3-bis(azanyl)-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: (2R)-2,3-bis(azanyl)-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: (2R)-2,3-diamino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: (2R)-2,3-diamino-1-[4-(5-isoquinolinylsulfonyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: (2R)-2,3-diamino-1-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: (2R)-2,3-diamino-1-[4-(5-isoquinolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)C(CN)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=O)[C@@H](CN)N

InChI

InChI=1S/C17H23N5O3S/c18-11-15(19)17(23)21-7-2-8-22(10-9-21)26(24,25)16-4-1-3-13-12-20-6-5-14(13)16/h1,3-6,12,15H,2,7-11,18-19H2/t15-/m1/s1