6-bromanyl-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline

Systemtic Name: 6-bromanyl-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline Openeye Name: 6-bromo-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline CAS Name: 6-bromo-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline IUPAC Name: 6-bromo-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline Traditional Name: 6-bromo-4-[4-(1,4-diazepan-1-ylsulfonylmethyl)phenyl]quinoline Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C3=C4C=C(C=CC4=NC=C3)Br

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)CC2=CC=C(C=C2)C3=C4C=C(C=CC4=NC=C3)Br

InChI

InChI=1S/C21H22BrN3O2S/c22-18-6-7-21-20(14-18)19(8-10-24-21)17-4-2-16(3-5-17)15-28(26,27)25-12-1-9-23-11-13-25/h2-8,10,14,23H,1,9,11-13,15H2