4-chloranyl-5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 4-chloranyl-5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-4-chloro-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one CAS Name: 4-chloro-5-(1,4-diazepan-1-ylsulfonyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-4-chloro-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one Traditional Name: 2-benzyl-4-chloro-5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C(=CN(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c22-18-15-24(14-16-6-2-1-3-7-16)21(26)17-8-4-9-19(20(17)18)29(27,28)25-12-5-10-23-11-13-25/h1-4,6-9,15,23H,5,10-14H2