5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline

Systemtic Name: 5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline Openeye Name: 5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline CAS Name: 5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline IUPAC Name: 5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methylisoquinoline Traditional Name: 5-[(2,7-dimethyl-1,4-diazepan-1-yl)sulfonyl]-4-methyl-isoquinoline Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNCC(N1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C

Isomeric SMILES

CC1CCNCC(N1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C

InChI

InChI=1S/C17H23N3O2S/c1-12-9-19-11-15-5-4-6-16(17(12)15)23(21,22)20-13(2)7-8-18-10-14(20)3/h4-6,9,11,13-14,18H,7-8,10H2,1-3H3