5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline Openeye Name: 5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline CAS Name: 5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline Traditional Name: 5-[(7-methyl-1,4-diazepin-1-yl)sulfonyl]isoquinoline Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC=CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC=NC=CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C15H13N3O2S/c1-12-5-7-16-9-10-18(12)21(19,20)15-4-2-3-13-11-17-8-6-14(13)15/h2-11H,1H3