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

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-methylphenoxy)isoquinoline Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-methylphenoxy)isoquinoline CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-methylphenoxy)isoquinoline IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-methylphenoxy)isoquinoline Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-(4-methylphenoxy)isoquinoline Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C3C(=CN=C2)C=CC=C3S(=O)(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C3C(=CN=C2)C=CC=C3S(=O)(=O)N4CCCNCC4

InChI

InChI=1S/C21H23N3O3S/c1-16-6-8-18(9-7-16)27-19-15-23-14-17-4-2-5-20(21(17)19)28(25,26)24-12-3-10-22-11-13-24/h2,4-9,14-15,22H,3,10-13H2,1H3