5-(1,4-diazepan-1-ylsulfonyl)-4-ethyl-isoquinoline

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-ethyl-isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-ethyl-isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-ethylisoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-ethylisoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-ethyl-isoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CCC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C16H21N3O2S/c1-2-13-11-18-12-14-5-3-6-15(16(13)14)22(20,21)19-9-4-7-17-8-10-19/h3,5-6,11-12,17H,2,4,7-10H2,1H3